(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone

C19H28N2O — CID 119805710

IUPAC(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC(N)C2)CCC1c1ccccc1
InChIInChI=1S/C19H28N2O/c1-14-13-21(19(22)16-8-5-9-17(20)12-16)11-10-18(14)15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13,20H2,1H3
InChIKeyOWBGUKVMHCIFOJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.16
Rot. Bonds2

About (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone

(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 119805710) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
PubChem CID119805710
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC(N)C2)CCC1c1ccccc1
InChIInChI=1S/C19H28N2O/c1-14-13-21(19(22)16-8-5-9-17(20)12-16)11-10-18(14)15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13,20H2,1H3
InChIKeyOWBGUKVMHCIFOJ-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 125135133
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119807327
1-(3-aminocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721453
(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336209
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
(3-aminocyclohexyl)-(4-benzyl-5-methyl-1,4-diazepan-1-yl)methanone
CID 119896962
[(1R,3S)-3-aminocyclohexyl]-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 125153639
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685797

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone (CID 119805710) is (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone is CC1CN(C(=O)C2CCCC(N)C2)CCC1c1ccccc1.
What is the InChIKey of (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is OWBGUKVMHCIFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-13-21(19(22)16-8-5-9-17(20)12-16)11-10-18(14)15-6-3-2-4-7-15/h2-4,6-7,14,16-18H,5,8-13,20H2,1H3.
What are the key properties of (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone?
(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 300.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 119805710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).