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1228878-93-0 molecular structure
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[1-(piperidin-1-yl)cyclohexyl]methanamine hydrochloride

ChemBase ID: 288738
Molecular Formular: C12H25ClN2
Molecular Mass: 232.7933
Monoisotopic Mass: 232.17062649
SMILES and InChIs

SMILES:
NCC1(N2CCCCC2)CCCCC1.Cl
Canonical SMILES:
NCC1(CCCCC1)N1CCCCC1.Cl
InChI:
InChI=1S/C12H24N2.ClH/c13-11-12(7-3-1-4-8-12)14-9-5-2-6-10-14;/h1-11,13H2;1H
InChIKey:
HCURZNZLQLLWPN-UHFFFAOYSA-N

Cite this record

CBID:288738 http://www.chembase.cn/molecule-288738.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(piperidin-1-yl)cyclohexyl]methanamine hydrochloride
IUPAC Traditional name
[1-(piperidin-1-yl)cyclohexyl]methanamine hydrochloride
Synonyms
(1-(Piperidin-1-yl)cyclohexyl)methanamine hydrochloride
CAS Number
1228878-93-0
PubChem SID
180674269
PubChem CID
66570693

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD211916 Please log in.
Data Source Data ID
PubChem 66570693 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0887222  LogD (pH = 7.4) -1.1203057 
Log P 1.966591  Molar Refractivity 60.9837 cm3
Polarizability 24.457176 Å3 Polar Surface Area 29.26 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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