4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine

C24H28FN — CID 22122083

IUPAC4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine
SMILESFc1ccc(C2=CCC(N3CCC(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C24H28FN/c25-23-10-6-21(7-11-23)22-8-12-24(13-9-22)26-16-14-20(15-17-26)18-19-4-2-1-3-5-19/h1-8,10-11,20,24H,9,12-18H2
InChIKeyJBYYJHYLYGUFCH-UHFFFAOYSA-N
MW349.49 g/mol
LogP5.72
Rot. Bonds4

About 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine

4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine (PubChem CID 22122083) has the molecular formula C24H28FN and a molecular weight of 349.49 g/mol. Its IUPAC name is 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine
PubChem CID22122083
Molecular FormulaC24H28FN
Molecular Weight349.49 g/mol
Exact Mass349.22
IUPAC Name4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine
SMILESFc1ccc(C2=CCC(N3CCC(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C24H28FN/c25-23-10-6-21(7-11-23)22-8-12-24(13-9-22)26-16-14-20(15-17-26)18-19-4-2-1-3-5-19/h1-8,10-11,20,24H,9,12-18H2
InChIKeyJBYYJHYLYGUFCH-UHFFFAOYSA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine?
The IUPAC name of 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine (CID 22122083) is 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine.
What is the SMILES notation for 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine?
The canonical SMILES for 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine is Fc1ccc(C2=CCC(N3CCC(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine?
The InChIKey is JBYYJHYLYGUFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN/c25-23-10-6-21(7-11-23)22-8-12-24(13-9-22)26-16-14-20(15-17-26)18-19-4-2-1-3-5-19/h1-8,10-11,20,24H,9,12-18H2.
What are the key properties of 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine?
4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine has a molecular weight of 349.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[4-(4-fluorophenyl)cyclohex-3-en-1-yl]piperidine is sourced from PubChem (CID 22122083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).