1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine

C23H28FN — CID 155405582

IUPAC1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine
SMILESCc1cc(-c2ccc(F)cc2)ccc1C1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H28FN/c1-17-15-19(18-8-11-21(24)12-9-18)10-13-23(17)20-5-4-14-25(16-20)22-6-2-3-7-22/h8-13,15,20,22H,2-7,14,16H2,1H3
InChIKeyZMMBKTNPMMLAPS-UHFFFAOYSA-N
MW337.48 g/mol
LogP5.92
Rot. Bonds3

About 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine

1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine (PubChem CID 155405582) has the molecular formula C23H28FN and a molecular weight of 337.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine
PubChem CID155405582
Molecular FormulaC23H28FN
Molecular Weight337.48 g/mol
Exact Mass337.22
IUPAC Name1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine
SMILESCc1cc(-c2ccc(F)cc2)ccc1C1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H28FN/c1-17-15-19(18-8-11-21(24)12-9-18)10-13-23(17)20-5-4-14-25(16-20)22-6-2-3-7-22/h8-13,15,20,22H,2-7,14,16H2,1H3
InChIKeyZMMBKTNPMMLAPS-UHFFFAOYSA-N
XLogP5.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine?
The IUPAC name of 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine (CID 155405582) is 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine.
What is the SMILES notation for 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine?
The canonical SMILES for 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine is Cc1cc(-c2ccc(F)cc2)ccc1C1CCCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine?
The InChIKey is ZMMBKTNPMMLAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN/c1-17-15-19(18-8-11-21(24)12-9-18)10-13-23(17)20-5-4-14-25(16-20)22-6-2-3-7-22/h8-13,15,20,22H,2-7,14,16H2,1H3.
What are the key properties of 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine?
1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine has a molecular weight of 337.48 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-(4-fluorophenyl)-2-methylphenyl]piperidine is sourced from PubChem (CID 155405582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).