2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol

C18H34N2O — CID 23723609

IUPAC2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol
SMILESOCCC1CN(CC2CCCCC2)CCN1C1CCCC1
InChIInChI=1S/C18H34N2O/c21-13-10-18-15-19(14-16-6-2-1-3-7-16)11-12-20(18)17-8-4-5-9-17/h16-18,21H,1-15H2
InChIKeyCHTBCENFLGVKFC-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.88
Rot. Bonds5

About 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol

2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol (PubChem CID 23723609) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol
PubChem CID23723609
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol
SMILESOCCC1CN(CC2CCCCC2)CCN1C1CCCC1
InChIInChI=1S/C18H34N2O/c21-13-10-18-15-19(14-16-6-2-1-3-7-16)11-12-20(18)17-8-4-5-9-17/h16-18,21H,1-15H2
InChIKeyCHTBCENFLGVKFC-UHFFFAOYSA-N
XLogP2.88
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol (CID 23723609) is 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol is OCCC1CN(CC2CCCCC2)CCN1C1CCCC1.
What is the InChIKey of 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol?
The InChIKey is CHTBCENFLGVKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c21-13-10-18-15-19(14-16-6-2-1-3-7-16)11-12-20(18)17-8-4-5-9-17/h16-18,21H,1-15H2.
What are the key properties of 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol?
2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol has a molecular weight of 294.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylmethyl)-1-cyclopentylpiperazin-2-yl]ethanol is sourced from PubChem (CID 23723609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).