4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol

C15H30N2O — CID 63636104

IUPAC4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C15H30N2O/c1-5-12-6-7-14(18)13(10-12)17-9-8-16(4)15(2,3)11-17/h12-14,18H,5-11H2,1-4H3
InChIKeyDFMIVRGWLHKYOO-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds2

About 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol

4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 63636104) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID63636104
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCN(C)C(C)(C)C2)C1
InChIInChI=1S/C15H30N2O/c1-5-12-6-7-14(18)13(10-12)17-9-8-16(4)15(2,3)11-17/h12-14,18H,5-11H2,1-4H3
InChIKeyDFMIVRGWLHKYOO-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol (CID 63636104) is 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol is CCC1CCC(O)C(N2CCN(C)C(C)(C)C2)C1.
What is the InChIKey of 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is DFMIVRGWLHKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-12-6-7-14(18)13(10-12)17-9-8-16(4)15(2,3)11-17/h12-14,18H,5-11H2,1-4H3.
What are the key properties of 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol?
4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 63636104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).