(4-Benzylpiperidin-1-yl)-phenylmethanone

C19H21NO — CID 796596

IUPAC(4-benzylpiperidin-1-yl)-phenylmethanone
SMILESC1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChIInChI=1S/C19H21NO/c21-19(18-9-5-2-6-10-18)20-13-11-17(12-14-20)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2
InChIKeySWKYTNAJGNVOCN-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.10
Rot. Bonds3

About (4-Benzylpiperidin-1-yl)-phenylmethanone

(4-Benzylpiperidin-1-yl)-phenylmethanone (PubChem CID 796596) has the molecular formula C19H21NO and a molecular weight of 279.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-Benzylpiperidin-1-yl)-phenylmethanone
PubChem CID796596
Molecular FormulaC19H21NO
Molecular Weight279.40 g/mol
Exact Mass279.16
IUPAC Name(4-benzylpiperidin-1-yl)-phenylmethanone
SMILESC1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChIInChI=1S/C19H21NO/c21-19(18-9-5-2-6-10-18)20-13-11-17(12-14-20)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2
InChIKeySWKYTNAJGNVOCN-UHFFFAOYSA-N
XLogP4.10
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity320

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
2-Methyl-N,N-diethylbenzamide
CID 75945
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
AR-M1000390
CID 9841259
N,N'-dibenzoylpiperazine
CID 80185
N,N-Dimethylbenzamide
CID 11916
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N-Benzoylbenzylamine
CID 73878

Frequently Asked Questions

What is the IUPAC name of (4-Benzylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (4-Benzylpiperidin-1-yl)-phenylmethanone (CID 796596) is (4-benzylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-Benzylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (4-Benzylpiperidin-1-yl)-phenylmethanone is C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3.
What is the InChIKey of (4-Benzylpiperidin-1-yl)-phenylmethanone?
The InChIKey is SWKYTNAJGNVOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(18-9-5-2-6-10-18)20-13-11-17(12-14-20)15-16-7-3-1-4-8-16/h1-10,17H,11-15H2.
What are the key properties of (4-Benzylpiperidin-1-yl)-phenylmethanone?
(4-Benzylpiperidin-1-yl)-phenylmethanone has a molecular weight of 279.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-Benzylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 796596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).