4-(3-chloro-4-fluorophenyl)-1-methylpiperidine

C12H15ClFN — CID 21306585

IUPAC4-(3-chloro-4-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFN/c1-15-6-4-9(5-7-15)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyWJLCOUGYCWBPAZ-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.29
Rot. Bonds1

About 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine

4-(3-chloro-4-fluorophenyl)-1-methylpiperidine (PubChem CID 21306585) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-methylpiperidine
PubChem CID21306585
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H15ClFN/c1-15-6-4-9(5-7-15)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyWJLCOUGYCWBPAZ-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine (CID 21306585) is 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine is CN1CCC(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine?
The InChIKey is WJLCOUGYCWBPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-15-6-4-9(5-7-15)10-2-3-12(14)11(13)8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine?
4-(3-chloro-4-fluorophenyl)-1-methylpiperidine has a molecular weight of 227.71 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1-methylpiperidine is sourced from PubChem (CID 21306585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).