[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride

C19H29ClN2O — CID 119467930

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O.ClH/c20-14-18-8-4-5-13-21(18)19(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15;/h1-3,6-7,16-18H,4-5,8-14,20H2;1H
InChIKeyPTAZPPMXFDXTMK-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.72
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride

[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride (PubChem CID 119467930) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
PubChem CID119467930
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O.ClH/c20-14-18-8-4-5-13-21(18)19(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15;/h1-3,6-7,16-18H,4-5,8-14,20H2;1H
InChIKeyPTAZPPMXFDXTMK-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119467931
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(benzenesulfonyl)piperidin-3-yl]methanone;hydrochloride
CID 119632895

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride (CID 119467930) is [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride is Cl.NCC1CCCCN1C(=O)C1CCC(c2ccccc2)CC1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The InChIKey is PTAZPPMXFDXTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-14-18-8-4-5-13-21(18)19(22)17-11-9-16(10-12-17)15-6-2-1-3-7-15;/h1-3,6-7,16-18H,4-5,8-14,20H2;1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride is sourced from PubChem (CID 119467930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).