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

C18H27FN2 — CID 756822

IUPAC1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine
SMILESCCC1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H27FN2/c1-2-15-7-9-16(10-8-15)20-11-13-21(14-12-20)18-6-4-3-5-17(18)19/h3-6,15-16H,2,7-14H2,1H3
InChIKeyJBVPUFQXURRXSK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.92
Rot. Bonds3

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

1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine (PubChem CID 756822) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine
PubChem CID756822
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine
SMILESCCC1CCC(N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H27FN2/c1-2-15-7-9-16(10-8-15)20-11-13-21(14-12-20)18-6-4-3-5-17(18)19/h3-6,15-16H,2,7-14H2,1H3
InChIKeyJBVPUFQXURRXSK-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine (CID 756822) is 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine is CCC1CCC(N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine?
The InChIKey is JBVPUFQXURRXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-2-15-7-9-16(10-8-15)20-11-13-21(14-12-20)18-6-4-3-5-17(18)19/h3-6,15-16H,2,7-14H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine?
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine has a molecular weight of 290.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 756822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).