1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone

C16H23NO — CID 116547889

IUPAC1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)14-8-6-13(7-9-14)11-16(18)15-5-3-4-10-17-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3
InChIKeyZFVSGNOJJUZJEN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.06
Rot. Bonds4

About 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone

1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 116547889) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
PubChem CID116547889
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCCCN2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)14-8-6-13(7-9-14)11-16(18)15-5-3-4-10-17-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3
InChIKeyZFVSGNOJJUZJEN-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)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

2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-[4-(2-methylpropyl)phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 147204256
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
2-[4-[2-(4-cyclohexylphenyl)-3-[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]phenyl]cyclopropyl]phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 162164482
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 171941294
1-(4-methoxypyrrolidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116560716
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995
1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone (CID 116547889) is 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)C2CCCCN2)cc1.
What is the InChIKey of 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is ZFVSGNOJJUZJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)14-8-6-13(7-9-14)11-16(18)15-5-3-4-10-17-15/h6-9,12,15,17H,3-5,10-11H2,1-2H3.
What are the key properties of 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone?
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116547889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).