4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol

C12H26N2O — CID 79360842

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CN(CCC(C)(C)O)CCN1C
InChIInChI=1S/C12H26N2O/c1-5-11-10-14(9-8-13(11)4)7-6-12(2,3)15/h11,15H,5-10H2,1-4H3
InChIKeySNJMJAISHMSJML-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds4

About 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol

4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol (PubChem CID 79360842) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
PubChem CID79360842
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CN(CCC(C)(C)O)CCN1C
InChIInChI=1S/C12H26N2O/c1-5-11-10-14(9-8-13(11)4)7-6-12(2,3)15/h11,15H,5-10H2,1-4H3
InChIKeySNJMJAISHMSJML-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol (CID 79360842) is 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol is CCC1CN(CCC(C)(C)O)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol?
The InChIKey is SNJMJAISHMSJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11-10-14(9-8-13(11)4)7-6-12(2,3)15/h11,15H,5-10H2,1-4H3.
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol?
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79360842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).