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

C14H17ClFNO — CID 114863265

IUPAC1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)cc1F)CC1CCNCC1
InChIInChI=1S/C14H17ClFNO/c15-12-2-1-11(14(16)9-12)8-13(18)7-10-3-5-17-6-4-10/h1-2,9-10,17H,3-8H2
InChIKeyXSQBSQGBWDQAPT-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.98
Rot. Bonds4

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

1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one (PubChem CID 114863265) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
PubChem CID114863265
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one
SMILESO=C(Cc1ccc(Cl)cc1F)CC1CCNCC1
InChIInChI=1S/C14H17ClFNO/c15-12-2-1-11(14(16)9-12)8-13(18)7-10-3-5-17-6-4-10/h1-2,9-10,17H,3-8H2
InChIKeyXSQBSQGBWDQAPT-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
1-cycloheptyl-3-(2,4-difluorophenyl)propan-2-one
CID 114458081
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
CID 114863568
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
1-(4-bromo-2-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606101
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-(4-chloro-2-fluorophenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606153

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one (CID 114863265) is 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one is O=C(Cc1ccc(Cl)cc1F)CC1CCNCC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one?
The InChIKey is XSQBSQGBWDQAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-12-2-1-11(14(16)9-12)8-13(18)7-10-3-5-17-6-4-10/h1-2,9-10,17H,3-8H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one?
1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one has a molecular weight of 269.75 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 114863265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).