1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone

C21H32N2O — CID 119595751

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
SMILESCC(N)C1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C21H32N2O/c1-16(22)20-8-5-13-23(15-20)21(24)14-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-4,6-7,16-17,19-20H,5,8-15,22H2,1H3
InChIKeyBJQAWUHBPRMALQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.94
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone (PubChem CID 119595751) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
PubChem CID119595751
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
SMILESCC(N)C1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C21H32N2O/c1-16(22)20-8-5-13-23(15-20)21(24)14-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-4,6-7,16-17,19-20H,5,8-15,22H2,1H3
InChIKeyBJQAWUHBPRMALQ-UHFFFAOYSA-N
XLogP3.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
CID 111109085
(3S)-1-[2-(4-phenylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119174116
1-[3-(1-aminoethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one;hydrochloride
CID 119595280
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119486230
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119593816
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119593240
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 125146242

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone (CID 119595751) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone is CC(N)C1CCCN(C(=O)CC2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
The InChIKey is BJQAWUHBPRMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16(22)20-8-5-13-23(15-20)21(24)14-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-4,6-7,16-17,19-20H,5,8-15,22H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone has a molecular weight of 328.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone is sourced from PubChem (CID 119595751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).