4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine

C18H19ClFN — CID 106819231

IUPAC4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine
SMILESCc1ccc(C2CCNCC2c2ccccc2F)cc1Cl
InChIInChI=1S/C18H19ClFN/c1-12-6-7-13(10-17(12)19)14-8-9-21-11-16(14)15-4-2-3-5-18(15)20/h2-7,10,14,16,21H,8-9,11H2,1H3
InChIKeyXVEDKFZVGHXASX-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.65
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine

4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine (PubChem CID 106819231) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine
PubChem CID106819231
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine
SMILESCc1ccc(C2CCNCC2c2ccccc2F)cc1Cl
InChIInChI=1S/C18H19ClFN/c1-12-6-7-13(10-17(12)19)14-8-9-21-11-16(14)15-4-2-3-5-18(15)20/h2-7,10,14,16,21H,8-9,11H2,1H3
InChIKeyXVEDKFZVGHXASX-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine (CID 106819231) is 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine is Cc1ccc(C2CCNCC2c2ccccc2F)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine?
The InChIKey is XVEDKFZVGHXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-12-6-7-13(10-17(12)19)14-8-9-21-11-16(14)15-4-2-3-5-18(15)20/h2-7,10,14,16,21H,8-9,11H2,1H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine?
4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine has a molecular weight of 303.81 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-3-(2-fluorophenyl)piperidine is sourced from PubChem (CID 106819231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).