1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol

C18H36N2O — CID 21242420

IUPAC1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol
SMILESCCCCCCC1CCCCC1C1CNCCN1C(C)O
InChIInChI=1S/C18H36N2O/c1-3-4-5-6-9-16-10-7-8-11-17(16)18-14-19-12-13-20(18)15(2)21/h15-19,21H,3-14H2,1-2H3
InChIKeyFYEVXHSPZFOKFY-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol

1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol (PubChem CID 21242420) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol
PubChem CID21242420
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol
SMILESCCCCCCC1CCCCC1C1CNCCN1C(C)O
InChIInChI=1S/C18H36N2O/c1-3-4-5-6-9-16-10-7-8-11-17(16)18-14-19-12-13-20(18)15(2)21/h15-19,21H,3-14H2,1-2H3
InChIKeyFYEVXHSPZFOKFY-UHFFFAOYSA-N
XLogP3.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol (CID 21242420) is 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol is CCCCCCC1CCCCC1C1CNCCN1C(C)O.
What is the InChIKey of 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol?
The InChIKey is FYEVXHSPZFOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-4-5-6-9-16-10-7-8-11-17(16)18-14-19-12-13-20(18)15(2)21/h15-19,21H,3-14H2,1-2H3.
What are the key properties of 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol?
1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hexylcyclohexyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 21242420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).