4-(4-chloro-2-fluorophenyl)-4-methylpiperidine

C12H15ClFN — CID 131580444

IUPAC4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
SMILESCC1(c2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C12H15ClFN/c1-12(4-6-15-7-5-12)10-3-2-9(13)8-11(10)14/h2-3,8,15H,4-7H2,1H3
InChIKeyWVCGEQMAKNWOSP-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.12
Rot. Bonds1

About 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine

4-(4-chloro-2-fluorophenyl)-4-methylpiperidine (PubChem CID 131580444) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
PubChem CID131580444
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
SMILESCC1(c2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C12H15ClFN/c1-12(4-6-15-7-5-12)10-3-2-9(13)8-11(10)14/h2-3,8,15H,4-7H2,1H3
InChIKeyWVCGEQMAKNWOSP-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine (CID 131580444) is 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine is CC1(c2ccc(Cl)cc2F)CCNCC1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine?
The InChIKey is WVCGEQMAKNWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-12(4-6-15-7-5-12)10-3-2-9(13)8-11(10)14/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine?
4-(4-chloro-2-fluorophenyl)-4-methylpiperidine has a molecular weight of 227.71 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-4-methylpiperidine is sourced from PubChem (CID 131580444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).