[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone

C19H28N2O — CID 46967384

IUPAC[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
SMILESNCC1CCC(C(=O)N2CCCC(c3ccccc3)C2)CC1
InChIInChI=1S/C19H28N2O/c20-13-15-8-10-17(11-9-15)19(22)21-12-4-7-18(14-21)16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14,20H2
InChIKeyFMQDMQUOYGUJQW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.16
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone

[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone (PubChem CID 46967384) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
PubChem CID46967384
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
SMILESNCC1CCC(C(=O)N2CCCC(c3ccccc3)C2)CC1
InChIInChI=1S/C19H28N2O/c20-13-15-8-10-17(11-9-15)19(22)21-12-4-7-18(14-21)16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14,20H2
InChIKeyFMQDMQUOYGUJQW-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
CID 164832714
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzoic acid
CID 50742353
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119467931
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
CID 13039297
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone (CID 46967384) is [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone is NCC1CCC(C(=O)N2CCCC(c3ccccc3)C2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is FMQDMQUOYGUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c20-13-15-8-10-17(11-9-15)19(22)21-12-4-7-18(14-21)16-5-2-1-3-6-16/h1-3,5-6,15,17-18H,4,7-14,20H2.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 46967384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).