1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine

C24H25F4N — CID 22122080

IUPAC1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine
SMILESFc1ccc(F)c(CC2CCN(C3CC=C(c4ccc(F)c(F)c4)CC3)CC2)c1
InChIInChI=1S/C24H25F4N/c25-20-4-8-22(26)19(14-20)13-16-9-11-29(12-10-16)21-5-1-17(2-6-21)18-3-7-23(27)24(28)15-18/h1,3-4,7-8,14-16,21H,2,5-6,9-13H2
InChIKeyFVNLGPDMRLDUPZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP6.13
Rot. Bonds4

About 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine

1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine (PubChem CID 22122080) has the molecular formula C24H25F4N and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine
PubChem CID22122080
Molecular FormulaC24H25F4N
Molecular Weight403.46 g/mol
Exact Mass403.19
IUPAC Name1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine
SMILESFc1ccc(F)c(CC2CCN(C3CC=C(c4ccc(F)c(F)c4)CC3)CC2)c1
InChIInChI=1S/C24H25F4N/c25-20-4-8-22(26)19(14-20)13-16-9-11-29(12-10-16)21-5-1-17(2-6-21)18-3-7-23(27)24(28)15-18/h1,3-4,7-8,14-16,21H,2,5-6,9-13H2
InChIKeyFVNLGPDMRLDUPZ-UHFFFAOYSA-N
XLogP6.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine?
The IUPAC name of 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine (CID 22122080) is 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine is Fc1ccc(F)c(CC2CCN(C3CC=C(c4ccc(F)c(F)c4)CC3)CC2)c1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine?
The InChIKey is FVNLGPDMRLDUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N/c25-20-4-8-22(26)19(14-20)13-16-9-11-29(12-10-16)21-5-1-17(2-6-21)18-3-7-23(27)24(28)15-18/h1,3-4,7-8,14-16,21H,2,5-6,9-13H2.
What are the key properties of 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine?
1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine has a molecular weight of 403.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-4-[(2,5-difluorophenyl)methyl]piperidine is sourced from PubChem (CID 22122080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).