1-[4-(4-methylphenyl)piperidin-4-yl]ethanone

C14H19NO — CID 82285208

IUPAC1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccc(C)cc2)CCNCC1
InChIInChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)14(12(2)16)7-9-15-10-8-14/h3-6,15H,7-10H2,1-2H3
InChIKeyQSNLRGHNXOYCBY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.21
Rot. Bonds2

About 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone

1-[4-(4-methylphenyl)piperidin-4-yl]ethanone (PubChem CID 82285208) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
PubChem CID82285208
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(4-methylphenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1(c2ccc(C)cc2)CCNCC1
InChIInChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)14(12(2)16)7-9-15-10-8-14/h3-6,15H,7-10H2,1-2H3
InChIKeyQSNLRGHNXOYCBY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone 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

1-[4-(2,4-dimethylphenyl)piperidin-4-yl]ethanone
CID 82289321
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561849
methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 169447954
1-[1-(4-methylphenyl)cyclobutyl]propane-1,2-dione
CID 122222517
bis[4-(4-tert-butylphenyl)piperidin-4-yl]methanone
CID 174867448
4-(4-methylphenyl)piperidin-4-amine
CID 70264998
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
acetic acid;N-[(3S,4R)-4-hydroxypiperidin-3-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 154908138
2-[2-(4-methylphenyl)azetidin-2-yl]acetic acid
CID 115059058
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
1-[1-(4-ethylphenyl)cyclopentyl]ethanone
CID 82284998
4-(2,4,6-trimethylphenyl)piperidine-4-carboxylic acid
CID 82086541

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone (CID 82285208) is 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone is CC(=O)C1(c2ccc(C)cc2)CCNCC1.
What is the InChIKey of 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone?
The InChIKey is QSNLRGHNXOYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)14(12(2)16)7-9-15-10-8-14/h3-6,15H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone?
1-[4-(4-methylphenyl)piperidin-4-yl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 82285208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).