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

C18H20FN — CID 79454812

IUPAC3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CCNCC2c2ccccc2F)c1
InChIInChI=1S/C18H20FN/c1-13-5-4-6-14(11-13)15-9-10-20-12-17(15)16-7-2-3-8-18(16)19/h2-8,11,15,17,20H,9-10,12H2,1H3
InChIKeyKZUMBUQYLGBYJM-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.99
Rot. Bonds2

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

3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine (PubChem CID 79454812) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
PubChem CID79454812
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine
SMILESCc1cccc(C2CCNCC2c2ccccc2F)c1
InChIInChI=1S/C18H20FN/c1-13-5-4-6-14(11-13)15-9-10-20-12-17(15)16-7-2-3-8-18(16)19/h2-8,11,15,17,20H,9-10,12H2,1H3
InChIKeyKZUMBUQYLGBYJM-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine?
The IUPAC name of 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine (CID 79454812) is 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine?
The canonical SMILES for 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine is Cc1cccc(C2CCNCC2c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine?
The InChIKey is KZUMBUQYLGBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-5-4-6-14(11-13)15-9-10-20-12-17(15)16-7-2-3-8-18(16)19/h2-8,11,15,17,20H,9-10,12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine?
3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine has a molecular weight of 269.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-(3-methylphenyl)piperidine is sourced from PubChem (CID 79454812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).