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

C15H19ClFNO — CID 116562301

IUPAC1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
SMILESO=C(CCC1CCCNC1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO/c16-15-9-13(17)5-4-12(15)8-14(19)6-3-11-2-1-7-18-10-11/h4-5,9,11,18H,1-3,6-8,10H2
InChIKeyRNICYNWPSQZISM-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.37
Rot. Bonds5

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

1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one (PubChem CID 116562301) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
PubChem CID116562301
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one
SMILESO=C(CCC1CCCNC1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO/c16-15-9-13(17)5-4-12(15)8-14(19)6-3-11-2-1-7-18-10-11/h4-5,9,11,18H,1-3,6-8,10H2
InChIKeyRNICYNWPSQZISM-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-4-piperidin-3-ylbutan-2-one
CID 114350384
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
1-(4-bromo-2-chlorophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564193
1-(2-chloro-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611204
1-(4-bromophenyl)-4-piperidin-3-ylbutan-2-one
CID 116562297
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70753664
1-(4-bromo-2-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606101
1-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
1-(3-bromo-2,6-difluorophenyl)-4-piperidin-3-ylbutan-2-one
CID 106272548

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one (CID 116562301) is 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one is O=C(CCC1CCCNC1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one?
The InChIKey is RNICYNWPSQZISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-15-9-13(17)5-4-12(15)8-14(19)6-3-11-2-1-7-18-10-11/h4-5,9,11,18H,1-3,6-8,10H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one?
1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one has a molecular weight of 283.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-piperidin-3-ylbutan-2-one is sourced from PubChem (CID 116562301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).