1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine

C17H25FN2 — CID 784111

IUPAC1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C17H25FN2/c1-14-6-8-15(9-7-14)19-10-12-20(13-11-19)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3
InChIKeyNYNJLYARZPZQCF-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.53
Rot. Bonds2

About 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine

1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine (PubChem CID 784111) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine
PubChem CID784111
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C17H25FN2/c1-14-6-8-15(9-7-14)19-10-12-20(13-11-19)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3
InChIKeyNYNJLYARZPZQCF-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine (CID 784111) is 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine is CC1CCC(N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine?
The InChIKey is NYNJLYARZPZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-14-6-8-15(9-7-14)19-10-12-20(13-11-19)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine?
1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine has a molecular weight of 276.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 784111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).