2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol

C13H26N2O — CID 23910353

IUPAC2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
SMILESCC1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C13H26N2O/c1-12-2-4-13(5-3-12)15-8-6-14(7-9-15)10-11-16/h12-13,16H,2-11H2,1H3
InChIKeyDNSQWJPPAQJSOU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.17
Rot. Bonds3

About 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol

2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol (PubChem CID 23910353) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
PubChem CID23910353
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
SMILESCC1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C13H26N2O/c1-12-2-4-13(5-3-12)15-8-6-14(7-9-15)10-11-16/h12-13,16H,2-11H2,1H3
InChIKeyDNSQWJPPAQJSOU-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol (CID 23910353) is 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol is CC1CCC(N2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
The InChIKey is DNSQWJPPAQJSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12-2-4-13(5-3-12)15-8-6-14(7-9-15)10-11-16/h12-13,16H,2-11H2,1H3.
What are the key properties of 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol?
2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol has a molecular weight of 226.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 23910353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).