1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one

C18H17ClFNO — CID 18001143

IUPAC1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFNO/c19-16-7-6-14(10-17(16)20)15-12-21(9-8-18(15)22)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2
InChIKeyMWUPQSSOGSYMMT-UHFFFAOYSA-N
MW317.79 g/mol
LogP4.04
Rot. Bonds3

About 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one

1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one (PubChem CID 18001143) has the molecular formula C18H17ClFNO and a molecular weight of 317.79 g/mol. Its IUPAC name is 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one
PubChem CID18001143
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
Exact Mass317.10
IUPAC Name1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFNO/c19-16-7-6-14(10-17(16)20)15-12-21(9-8-18(15)22)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2
InChIKeyMWUPQSSOGSYMMT-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one?
The IUPAC name of 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one (CID 18001143) is 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one.
What is the SMILES notation for 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one?
The canonical SMILES for 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one is O=C1CCN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one?
The InChIKey is MWUPQSSOGSYMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO/c19-16-7-6-14(10-17(16)20)15-12-21(9-8-18(15)22)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2.
What are the key properties of 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one?
1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one has a molecular weight of 317.79 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chloro-3-fluorophenyl)piperidin-4-one is sourced from PubChem (CID 18001143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).