(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone

C20H24N2O — CID 28723214

IUPAC(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-15-18(8-5-9-19(15)21)20(23)22-12-10-17(11-13-22)14-16-6-3-2-4-7-16/h2-9,17H,10-14,21H2,1H3
InChIKeyLWPSEQJQFVEPLK-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.67
Rot. Bonds3

About (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone

(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone (PubChem CID 28723214) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
PubChem CID28723214
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
SMILESCc1c(N)cccc1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-15-18(8-5-9-19(15)21)20(23)22-12-10-17(11-13-22)14-16-6-3-2-4-7-16/h2-9,17H,10-14,21H2,1H3
InChIKeyLWPSEQJQFVEPLK-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-amino-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 16785939
(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119945201
(3-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 55247851
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(3-amino-2-methylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61115004
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(2-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 119947007
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
(4-benzylpiperidin-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 166451739

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone (CID 28723214) is (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone is Cc1c(N)cccc1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone?
The InChIKey is LWPSEQJQFVEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-18(8-5-9-19(15)21)20(23)22-12-10-17(11-13-22)14-16-6-3-2-4-7-16/h2-9,17H,10-14,21H2,1H3.
What are the key properties of (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone?
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone is sourced from PubChem (CID 28723214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).