4-[(2-chloro-4-fluorophenyl)methyl]piperidine

C12H15ClFN — CID 54535596

IUPAC4-[(2-chloro-4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-12-8-11(14)2-1-10(12)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKeyYZOAQZFJRAZAEW-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.02
Rot. Bonds2

About 4-[(2-chloro-4-fluorophenyl)methyl]piperidine

4-[(2-chloro-4-fluorophenyl)methyl]piperidine (PubChem CID 54535596) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methyl]piperidine
PubChem CID54535596
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name4-[(2-chloro-4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-12-8-11(14)2-1-10(12)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2
InChIKeyYZOAQZFJRAZAEW-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]piperidine (CID 54535596) is 4-[(2-chloro-4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methyl]piperidine is Fc1ccc(CC2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methyl]piperidine?
The InChIKey is YZOAQZFJRAZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-12-8-11(14)2-1-10(12)7-9-3-5-15-6-4-9/h1-2,8-9,15H,3-7H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methyl]piperidine?
4-[(2-chloro-4-fluorophenyl)methyl]piperidine has a molecular weight of 227.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 54535596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).