(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone

C21H25NO — CID 24725201

IUPAC(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1C
InChIInChI=1S/C21H25NO/c1-16-10-11-18(14-17(16)2)21(23)20-9-5-4-8-19(20)15-22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKeyRYEVGRQTJLVVBB-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.52
Rot. Bonds4

About (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone

(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 24725201) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID24725201
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1C
InChIInChI=1S/C21H25NO/c1-16-10-11-18(14-17(16)2)21(23)20-9-5-4-8-19(20)15-22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
InChIKeyRYEVGRQTJLVVBB-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
CID 24725316
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(4-bromo-3-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725260
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone (CID 24725201) is (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone is Cc1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is RYEVGRQTJLVVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-16-10-11-18(14-17(16)2)21(23)20-9-5-4-8-19(20)15-22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone?
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 307.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).