1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one

C16H21ClFNO — CID 103042622

IUPAC1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
SMILESCC(CC(=O)Cc1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C16H21ClFNO/c1-11(13-3-2-6-19-10-13)7-14(20)8-12-4-5-16(18)15(17)9-12/h4-5,9,11,13,19H,2-3,6-8,10H2,1H3
InChIKeyJSEQYFIJTFOWDJ-UHFFFAOYSA-N
MW297.80 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one

1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one (PubChem CID 103042622) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
PubChem CID103042622
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
SMILESCC(CC(=O)Cc1ccc(F)c(Cl)c1)C1CCCNC1
InChIInChI=1S/C16H21ClFNO/c1-11(13-3-2-6-19-10-13)7-14(20)8-12-4-5-16(18)15(17)9-12/h4-5,9,11,13,19H,2-3,6-8,10H2,1H3
InChIKeyJSEQYFIJTFOWDJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
(4-chlorophenyl)methyl 3-piperidin-3-ylbutanoate
CID 81046293
1-(2-bromo-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 116594286
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119716767
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757975
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119831323
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one (CID 103042622) is 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one is CC(CC(=O)Cc1ccc(F)c(Cl)c1)C1CCCNC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one?
The InChIKey is JSEQYFIJTFOWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-11(13-3-2-6-19-10-13)7-14(20)8-12-4-5-16(18)15(17)9-12/h4-5,9,11,13,19H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one?
1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one has a molecular weight of 297.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one is sourced from PubChem (CID 103042622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).