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

C20H30N2O — CID 119562932

IUPAC1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
SMILESCNC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N2O/c1-21-19-11-13-22(14-12-19)20(23)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-6,16,18-19,21H,7-15H2,1H3
InChIKeyUWHASTCYOPDQQZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.56
Rot. Bonds4

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

1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone (PubChem CID 119562932) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
PubChem CID119562932
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
SMILESCNC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H30N2O/c1-21-19-11-13-22(14-12-19)20(23)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-6,16,18-19,21H,7-15H2,1H3
InChIKeyUWHASTCYOPDQQZ-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119486230
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520
1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
CID 111109085
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119595751
1-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 95782518
(3S)-1-[2-(4-phenylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119174116
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 120805459
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
2-anilino-1-(4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119703042

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone (CID 119562932) is 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone is CNC1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
The InChIKey is UWHASTCYOPDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-21-19-11-13-22(14-12-19)20(23)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-6,16,18-19,21H,7-15H2,1H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone?
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone has a molecular weight of 314.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone is sourced from PubChem (CID 119562932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).