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221352-86-9 molecular structure
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9H-fluoren-9-ylmethyl N-(piperidin-4-yl)carbamate hydrochloride

ChemBase ID: 152061
Molecular Formular: C20H23ClN2O2
Molecular Mass: 358.86182
Monoisotopic Mass: 358.14480567
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1ccccc1C2COC(=O)NC1CCNCC1.Cl
Canonical SMILES:
O=C(NC1CCNCC1)OCC1c2ccccc2c2c1cccc2.Cl
InChI:
InChI=1S/C20H22N2O2.ClH/c23-20(22-14-9-11-21-12-10-14)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,14,19,21H,9-13H2,(H,22,23);1H
InChIKey:
MOAIDLUWFCXIJA-UHFFFAOYSA-N

Cite this record

CBID:152061 http://www.chembase.cn/molecule-152061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-9-ylmethyl N-(piperidin-4-yl)carbamate hydrochloride
(9H-fluoren-9-yl)methyl N-(piperidin-4-yl)carbamate hydrochloride
IUPAC Traditional name
9H-fluoren-9-ylmethyl N-(piperidin-4-yl)carbamate hydrochloride
Synonyms
4-(Fmoc-amino)piperidine hydrochloride
N(4)-Fmoc-4-piperidinamine hydrochloride
Piperidin-4-yl-carbamic acid 9H-fluoren-9-ylmethyl ester hydrochloride
N(4)-Fmoc-4-哌啶胺 盐酸盐
4-(Fmoc-氨基)哌啶 盐酸盐
CAS Number
221352-86-9
MDL Number
MFCD01321024
PubChem SID
24887093
162246206
PubChem CID
2756218

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2756218 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.203635  H Acceptors
H Donor LogD (pH = 5.5) -0.5778698 
LogD (pH = 7.4) 0.10652563  Log P 2.6423278 
Molar Refractivity 94.155 cm3 Polarizability 38.005672 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥95.0% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C20H22N2O2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 76958 external link
Packaging
500 mg in poly bottle
Application
Combinatorial reactant for ergopeptides with high affinities for dopamine receptors1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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