3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine

C17H25FN2 — CID 64925423

IUPAC3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine
SMILESCc1ccc(N2CCNC(C3CCCCC3)C2)c(F)c1
InChIInChI=1S/C17H25FN2/c1-13-7-8-17(15(18)11-13)20-10-9-19-16(12-20)14-5-3-2-4-6-14/h7-8,11,14,16,19H,2-6,9-10,12H2,1H3
InChIKeyNSIRBOYQEDXIJZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.49
Rot. Bonds2

About 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine

3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine (PubChem CID 64925423) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine
PubChem CID64925423
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine
SMILESCc1ccc(N2CCNC(C3CCCCC3)C2)c(F)c1
InChIInChI=1S/C17H25FN2/c1-13-7-8-17(15(18)11-13)20-10-9-19-16(12-20)14-5-3-2-4-6-14/h7-8,11,14,16,19H,2-6,9-10,12H2,1H3
InChIKeyNSIRBOYQEDXIJZ-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-cyclohexyl-1,4-diazepane
CID 64943824
3-cyclohexyl-1-(2,3-difluorophenyl)piperazine
CID 64924730
3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine
CID 64925415
1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
CID 107639855
3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
CID 64952009
1-(4-chloro-2-iodophenyl)-3-cyclohexyl-1,4-diazepane
CID 107639977
1-(2-bromophenyl)-3-cyclohexylpiperazine
CID 64926277
1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine
CID 107603913
3-cyclopropyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64952382
3-cyclopropyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64943298
2-cyclopentyl-5-(2-fluoro-4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90191062
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine (CID 64925423) is 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine is Cc1ccc(N2CCNC(C3CCCCC3)C2)c(F)c1.
What is the InChIKey of 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine?
The InChIKey is NSIRBOYQEDXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-13-7-8-17(15(18)11-13)20-10-9-19-16(12-20)14-5-3-2-4-6-14/h7-8,11,14,16,19H,2-6,9-10,12H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine?
3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine has a molecular weight of 276.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-fluoro-4-methylphenyl)piperazine is sourced from PubChem (CID 64925423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).