4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one

C16H23NO — CID 79417419

IUPAC4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one
SMILESCCCC1CCC(=O)C(CCc2ccncc2)C1
InChIInChI=1S/C16H23NO/c1-2-3-14-5-7-16(18)15(12-14)6-4-13-8-10-17-11-9-13/h8-11,14-15H,2-7,12H2,1H3
InChIKeyFIGHXXSEDFASEG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.80
Rot. Bonds5

About 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one

4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one (PubChem CID 79417419) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one
PubChem CID79417419
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one
SMILESCCCC1CCC(=O)C(CCc2ccncc2)C1
InChIInChI=1S/C16H23NO/c1-2-3-14-5-7-16(18)15(12-14)6-4-13-8-10-17-11-9-13/h8-11,14-15H,2-7,12H2,1H3
InChIKeyFIGHXXSEDFASEG-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one 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-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
3-(2-pyridin-4-ylethyl)piperidin-4-one
CID 83485514
2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
CID 79227583
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
4-methyl-2-(pyridin-4-ylmethyl)cyclohexan-1-one
CID 79416685
cis-(2R,4S)-4-methyl-2-(pyridin-4-ylmethyl)cyclohexan-1-one
CID 124511940
2-[[bis(2-methylpropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 63483178
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
4-(2-cyclopropylethyl)pyridine
CID 54011262
2-[2-(3-bromophenoxy)ethyl]-4-propylcyclohexan-1-one
CID 63399217
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one?
The IUPAC name of 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one (CID 79417419) is 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one?
The canonical SMILES for 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one is CCCC1CCC(=O)C(CCc2ccncc2)C1.
What is the InChIKey of 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one?
The InChIKey is FIGHXXSEDFASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-14-5-7-16(18)15(12-14)6-4-13-8-10-17-11-9-13/h8-11,14-15H,2-7,12H2,1H3.
What are the key properties of 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one?
4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(2-pyridin-4-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 79417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).