1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone

C16H23NO — CID 142154089

IUPAC1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone
SMILESCCCC1CCCN(c2ccc(C(C)=O)cc2)C1
InChIInChI=1S/C16H23NO/c1-3-5-14-6-4-11-17(12-14)16-9-7-15(8-10-16)13(2)18/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyKFFBYLOEFFCFQX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.91
Rot. Bonds4

About 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone

1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone (PubChem CID 142154089) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone
PubChem CID142154089
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone
SMILESCCCC1CCCN(c2ccc(C(C)=O)cc2)C1
InChIInChI=1S/C16H23NO/c1-3-5-14-6-4-11-17(12-14)16-9-7-15(8-10-16)13(2)18/h7-10,14H,3-6,11-12H2,1-2H3
InChIKeyKFFBYLOEFFCFQX-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-phenyl-3-propylpiperidine
CID 123157098
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]ethanone
CID 62910168
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone (CID 142154089) is 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone is CCCC1CCCN(c2ccc(C(C)=O)cc2)C1.
What is the InChIKey of 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is KFFBYLOEFFCFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-14-6-4-11-17(12-14)16-9-7-15(8-10-16)13(2)18/h7-10,14H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone?
1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 142154089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).