1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine

C22H32F2N2 — CID 52913897

IUPAC1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine
SMILESFc1cccc(F)c1C1CCC(N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C22H32F2N2/c23-20-7-4-8-21(24)22(20)17-9-11-19(12-10-17)26-15-13-25(14-16-26)18-5-2-1-3-6-18/h4,7-8,17-19H,1-3,5-6,9-16H2
InChIKeySYNAAQKVKRSFKL-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.94
Rot. Bonds3

About 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine

1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine (PubChem CID 52913897) has the molecular formula C22H32F2N2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine
PubChem CID52913897
Molecular FormulaC22H32F2N2
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine
SMILESFc1cccc(F)c1C1CCC(N2CCN(C3CCCCC3)CC2)CC1
InChIInChI=1S/C22H32F2N2/c23-20-7-4-8-21(24)22(20)17-9-11-19(12-10-17)26-15-13-25(14-16-26)18-5-2-1-3-6-18/h4,7-8,17-19H,1-3,5-6,9-16H2
InChIKeySYNAAQKVKRSFKL-UHFFFAOYSA-N
XLogP4.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine (CID 52913897) is 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine is Fc1cccc(F)c1C1CCC(N2CCN(C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine?
The InChIKey is SYNAAQKVKRSFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2N2/c23-20-7-4-8-21(24)22(20)17-9-11-19(12-10-17)26-15-13-25(14-16-26)18-5-2-1-3-6-18/h4,7-8,17-19H,1-3,5-6,9-16H2.
What are the key properties of 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine?
1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine has a molecular weight of 362.51 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-(2,6-difluorophenyl)cyclohexyl]piperazine is sourced from PubChem (CID 52913897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).