(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone

C20H23NO — CID 24724725

IUPAC(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccccc1C(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H23NO/c1-16-8-3-4-11-19(16)20(22)18-10-7-9-17(14-18)15-21-12-5-2-6-13-21/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3
InChIKeyKFGAYXMRSHKKLJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.21
Rot. Bonds4

About (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone

(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24724725) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24724725
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccccc1C(=O)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H23NO/c1-16-8-3-4-11-19(16)20(22)18-10-7-9-17(14-18)15-21-12-5-2-6-13-21/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3
InChIKeyKFGAYXMRSHKKLJ-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724803
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone (CID 24724725) is (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone is Cc1ccccc1C(=O)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is KFGAYXMRSHKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-8-3-4-11-19(16)20(22)18-10-7-9-17(14-18)15-21-12-5-2-6-13-21/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3.
What are the key properties of (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone?
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 293.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).