1-(4-phenylbutyl)piperidin-3-one

C15H21NO — CID 114333663

IUPAC1-(4-phenylbutyl)piperidin-3-one
SMILESO=C1CCCN(CCCCc2ccccc2)C1
InChIInChI=1S/C15H21NO/c17-15-10-6-12-16(13-15)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2
InChIKeyBMEHPDYKCZIIFH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds5

About 1-(4-phenylbutyl)piperidin-3-one

1-(4-phenylbutyl)piperidin-3-one (PubChem CID 114333663) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-phenylbutyl)piperidin-3-one.

Molecular Properties

Compound Name1-(4-phenylbutyl)piperidin-3-one
PubChem CID114333663
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-phenylbutyl)piperidin-3-one
SMILESO=C1CCCN(CCCCc2ccccc2)C1
InChIInChI=1S/C15H21NO/c17-15-10-6-12-16(13-15)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2
InChIKeyBMEHPDYKCZIIFH-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-phenylbutyl)piperidin-3-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

1-benzylpiperidin-3-one;hydrate
CID 144851326
1-benzylpiperidin-3-one;ethene
CID 153347429
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
2-(4-phenylbutyl)-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155549427
1-(3-aminopropyl)piperidin-3-one
CID 53402694
6-phenylhexan-1-ol;1-(6-phenylhexyl)piperidine
CID 23016534
1-(3-phenylpropyl)azepan-3-imine
CID 57199105
1-(3-aminopropyl)piperidin-3-one;hydrochloride
CID 115019257
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
4-(3-oxopiperidin-1-yl)butanenitrile
CID 53404164
1-octylpiperidin-3-one;1-octylpiperidin-4-one
CID 68829117

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutyl)piperidin-3-one?
The IUPAC name of 1-(4-phenylbutyl)piperidin-3-one (CID 114333663) is 1-(4-phenylbutyl)piperidin-3-one.
What is the SMILES notation for 1-(4-phenylbutyl)piperidin-3-one?
The canonical SMILES for 1-(4-phenylbutyl)piperidin-3-one is O=C1CCCN(CCCCc2ccccc2)C1.
What is the InChIKey of 1-(4-phenylbutyl)piperidin-3-one?
The InChIKey is BMEHPDYKCZIIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-10-6-12-16(13-15)11-5-4-9-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13H2.
What are the key properties of 1-(4-phenylbutyl)piperidin-3-one?
1-(4-phenylbutyl)piperidin-3-one has a molecular weight of 231.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutyl)piperidin-3-one is sourced from PubChem (CID 114333663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).