4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine

C24H28F3N — CID 23355080

IUPAC4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine
SMILESFc1ccc(C2CCC(N3CCC(Cc4cc(F)ccc4F)CC3)CC2)cc1
InChIInChI=1S/C24H28F3N/c25-21-5-1-18(2-6-21)19-3-8-23(9-4-19)28-13-11-17(12-14-28)15-20-16-22(26)7-10-24(20)27/h1-2,5-7,10,16-17,19,23H,3-4,8-9,11-15H2
InChIKeyLXGWHNZZVTZQIC-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.08
Rot. Bonds4

About 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine

4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine (PubChem CID 23355080) has the molecular formula C24H28F3N and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine
PubChem CID23355080
Molecular FormulaC24H28F3N
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine
SMILESFc1ccc(C2CCC(N3CCC(Cc4cc(F)ccc4F)CC3)CC2)cc1
InChIInChI=1S/C24H28F3N/c25-21-5-1-18(2-6-21)19-3-8-23(9-4-19)28-13-11-17(12-14-28)15-20-16-22(26)7-10-24(20)27/h1-2,5-7,10,16-17,19,23H,3-4,8-9,11-15H2
InChIKeyLXGWHNZZVTZQIC-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine (CID 23355080) is 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine is Fc1ccc(C2CCC(N3CCC(Cc4cc(F)ccc4F)CC3)CC2)cc1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine?
The InChIKey is LXGWHNZZVTZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N/c25-21-5-1-18(2-6-21)19-3-8-23(9-4-19)28-13-11-17(12-14-28)15-20-16-22(26)7-10-24(20)27/h1-2,5-7,10,16-17,19,23H,3-4,8-9,11-15H2.
What are the key properties of 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine?
4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine has a molecular weight of 387.49 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl]-1-[4-(4-fluorophenyl)cyclohexyl]piperidine is sourced from PubChem (CID 23355080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).