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23808-42-6 molecular structure
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4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol

ChemBase ID: 291677
Molecular Formular: C14H22N2O
Molecular Mass: 234.33728
Monoisotopic Mass: 234.17321333
SMILES and InChIs

SMILES:
OC1(CN)CCN(CCc2ccccc2)CC1
Canonical SMILES:
NCC1(O)CCN(CC1)CCc1ccccc1
InChI:
InChI=1S/C14H22N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12,15H2
InChIKey:
OZWUDZJANOCZLG-UHFFFAOYSA-N

Cite this record

CBID:291677 http://www.chembase.cn/molecule-291677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol
IUPAC Traditional name
4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol
Synonyms
4-(Aminomethyl)-1-phenethylpiperidin-4-ol
CAS Number
23808-42-6
MDL Number
MFCD12722878
PubChem SID
180677208
PubChem CID
90271

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231759 Please log in.
Data Source Data ID
PubChem 90271 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.346848  H Acceptors
H Donor LogD (pH = 5.5) -5.4032164 
LogD (pH = 7.4) -2.9091191  Log P 0.6481483 
Molar Refractivity 70.9194 cm3 Polarizability 27.946032 Å3
Polar Surface Area 49.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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