1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine

C22H34FN — CID 142033316

IUPAC1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine
SMILESCC1CC(C)C(CN2CCC(CCCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H34FN/c1-17-14-18(2)21(15-17)16-24-12-10-20(11-13-24)5-3-4-19-6-8-22(23)9-7-19/h6-9,17-18,20-21H,3-5,10-16H2,1-2H3
InChIKeyPBPOEYXNVDNWHI-UHFFFAOYSA-N
MW331.52 g/mol
LogP5.54
Rot. Bonds6

About 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine

1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine (PubChem CID 142033316) has the molecular formula C22H34FN and a molecular weight of 331.52 g/mol. Its IUPAC name is 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine.

Molecular Properties

Compound Name1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine
PubChem CID142033316
Molecular FormulaC22H34FN
Molecular Weight331.52 g/mol
Exact Mass331.27
IUPAC Name1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine
SMILESCC1CC(C)C(CN2CCC(CCCc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H34FN/c1-17-14-18(2)21(15-17)16-24-12-10-20(11-13-24)5-3-4-19-6-8-22(23)9-7-19/h6-9,17-18,20-21H,3-5,10-16H2,1-2H3
InChIKeyPBPOEYXNVDNWHI-UHFFFAOYSA-N
XLogP5.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.52
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine?
The IUPAC name of 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine (CID 142033316) is 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine.
What is the SMILES notation for 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine?
The canonical SMILES for 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine is CC1CC(C)C(CN2CCC(CCCc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine?
The InChIKey is PBPOEYXNVDNWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN/c1-17-14-18(2)21(15-17)16-24-12-10-20(11-13-24)5-3-4-19-6-8-22(23)9-7-19/h6-9,17-18,20-21H,3-5,10-16H2,1-2H3.
What are the key properties of 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine?
1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine has a molecular weight of 331.52 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine is sourced from PubChem (CID 142033316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).