4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol

C13H28N2O — CID 79355714

IUPAC4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CN(CCC(C)(C)O)C(CC)CN1
InChIInChI=1S/C13H28N2O/c1-5-11-10-15(8-7-13(3,4)16)12(6-2)9-14-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWNXAVPYWWZSBGQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds5

About 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol

4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol (PubChem CID 79355714) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
PubChem CID79355714
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
SMILESCCC1CN(CCC(C)(C)O)C(CC)CN1
InChIInChI=1S/C13H28N2O/c1-5-11-10-15(8-7-13(3,4)16)12(6-2)9-14-11/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWNXAVPYWWZSBGQ-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol (CID 79355714) is 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol is CCC1CN(CCC(C)(C)O)C(CC)CN1.
What is the InChIKey of 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol?
The InChIKey is WNXAVPYWWZSBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-11-10-15(8-7-13(3,4)16)12(6-2)9-14-11/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol?
4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79355714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).