4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol

C13H28N2O — CID 79359653

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-12(2,3)15-10-8-14(9-11-15)7-6-13(4,5)16/h16H,6-11H2,1-5H3
InChIKeyABEQQWBEBPYVEO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.56
Rot. Bonds3

About 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol

4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol (PubChem CID 79359653) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol
PubChem CID79359653
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-12(2,3)15-10-8-14(9-11-15)7-6-13(4,5)16/h16H,6-11H2,1-5H3
InChIKeyABEQQWBEBPYVEO-UHFFFAOYSA-N
XLogP1.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol (CID 79359653) is 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol?
The InChIKey is ABEQQWBEBPYVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2,3)15-10-8-14(9-11-15)7-6-13(4,5)16/h16H,6-11H2,1-5H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol?
4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79359653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).