2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol

C17H32N2O — CID 6456230

IUPAC2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol
SMILESCC1=C(CCN2CCN(CCO)CC2)C(C)(C)CCC1
InChIInChI=1S/C17H32N2O/c1-15-5-4-7-17(2,3)16(15)6-8-18-9-11-19(12-10-18)13-14-20/h20H,4-14H2,1-3H3
InChIKeyJSPALGREUCORJK-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol

2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol (PubChem CID 6456230) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol
PubChem CID6456230
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol
SMILESCC1=C(CCN2CCN(CCO)CC2)C(C)(C)CCC1
InChIInChI=1S/C17H32N2O/c1-15-5-4-7-17(2,3)16(15)6-8-18-9-11-19(12-10-18)13-14-20/h20H,4-14H2,1-3H3
InChIKeyJSPALGREUCORJK-UHFFFAOYSA-N
XLogP2.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol (CID 6456230) is 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol is CC1=C(CCN2CCN(CCO)CC2)C(C)(C)CCC1.
What is the InChIKey of 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol?
The InChIKey is JSPALGREUCORJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15-5-4-7-17(2,3)16(15)6-8-18-9-11-19(12-10-18)13-14-20/h20H,4-14H2,1-3H3.
What are the key properties of 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol?
2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol has a molecular weight of 280.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 6456230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).