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

C21H25F2N3 — CID 25156125

IUPAC1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESFc1cccc(F)c1C1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2
InChIKeyUETLUCBWJPUFQM-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.21
Rot. Bonds3

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

1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine (PubChem CID 25156125) has the molecular formula C21H25F2N3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
PubChem CID25156125
Molecular FormulaC21H25F2N3
Molecular Weight357.45 g/mol
Exact Mass357.20
IUPAC Name1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine
SMILESFc1cccc(F)c1C1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2
InChIKeyUETLUCBWJPUFQM-UHFFFAOYSA-N
XLogP4.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine (CID 25156125) is 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine is Fc1cccc(F)c1C1CCC(N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
The InChIKey is UETLUCBWJPUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3/c22-18-4-3-5-19(23)21(18)16-7-9-17(10-8-16)25-12-14-26(15-13-25)20-6-1-2-11-24-20/h1-6,11,16-17H,7-10,12-15H2.
What are the key properties of 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine?
1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine has a molecular weight of 357.45 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-difluorophenyl)cyclohexyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 25156125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).