(3,5-dimethylphenyl)-piperidin-2-ylmethanone

C14H19NO — CID 82285234

IUPAC(3,5-dimethylphenyl)-piperidin-2-ylmethanone
SMILESCc1cc(C)cc(C(=O)C2CCCCN2)c1
InChIInChI=1S/C14H19NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-3-4-6-15-13/h7-9,13,15H,3-6H2,1-2H3
InChIKeyZDPVXALBGRFRNG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.63
Rot. Bonds2

About (3,5-dimethylphenyl)-piperidin-2-ylmethanone

(3,5-dimethylphenyl)-piperidin-2-ylmethanone (PubChem CID 82285234) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-piperidin-2-ylmethanone
PubChem CID82285234
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3,5-dimethylphenyl)-piperidin-2-ylmethanone
SMILESCc1cc(C)cc(C(=O)C2CCCCN2)c1
InChIInChI=1S/C14H19NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-3-4-6-15-13/h7-9,13,15H,3-6H2,1-2H3
InChIKeyZDPVXALBGRFRNG-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethylphenyl)-piperidin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
phenyl(piperidin-2-yl)methanone
CID 19772085
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-piperidin-2-ylmethanone?
The IUPAC name of (3,5-dimethylphenyl)-piperidin-2-ylmethanone (CID 82285234) is (3,5-dimethylphenyl)-piperidin-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylphenyl)-piperidin-2-ylmethanone?
The canonical SMILES for (3,5-dimethylphenyl)-piperidin-2-ylmethanone is Cc1cc(C)cc(C(=O)C2CCCCN2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-piperidin-2-ylmethanone?
The InChIKey is ZDPVXALBGRFRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-11(2)9-12(8-10)14(16)13-5-3-4-6-15-13/h7-9,13,15H,3-6H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-piperidin-2-ylmethanone?
(3,5-dimethylphenyl)-piperidin-2-ylmethanone has a molecular weight of 217.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-piperidin-2-ylmethanone is sourced from PubChem (CID 82285234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).