1-[(2-chloro-4-fluorophenyl)methyl]piperidine

C12H15ClFN — CID 22197573

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-12-8-11(14)5-4-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKeyHXPZNMJEQNBSMM-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.46
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]piperidine

1-[(2-chloro-4-fluorophenyl)methyl]piperidine (PubChem CID 22197573) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]piperidine
PubChem CID22197573
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CN2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-12-8-11(14)5-4-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKeyHXPZNMJEQNBSMM-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]piperidine (CID 22197573) is 1-[(2-chloro-4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]piperidine is Fc1ccc(CN2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]piperidine?
The InChIKey is HXPZNMJEQNBSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-12-8-11(14)5-4-10(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]piperidine?
1-[(2-chloro-4-fluorophenyl)methyl]piperidine has a molecular weight of 227.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 22197573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).