2-methyl-4-piperazin-1-ylbutan-2-ol

C9H20N2O — CID 12052275

IUPAC2-methyl-4-piperazin-1-ylbutan-2-ol
SMILESCC(C)(O)CCN1CCNCC1
InChIInChI=1S/C9H20N2O/c1-9(2,12)3-6-11-7-4-10-5-8-11/h10,12H,3-8H2,1-2H3
InChIKeyYBASWHAGJKHKTN-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds3

About 2-methyl-4-piperazin-1-ylbutan-2-ol

2-methyl-4-piperazin-1-ylbutan-2-ol (PubChem CID 12052275) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-ylbutan-2-ol
PubChem CID12052275
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-4-piperazin-1-ylbutan-2-ol
SMILESCC(C)(O)CCN1CCNCC1
InChIInChI=1S/C9H20N2O/c1-9(2,12)3-6-11-7-4-10-5-8-11/h10,12H,3-8H2,1-2H3
InChIKeyYBASWHAGJKHKTN-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-ylbutan-2-ol?
The IUPAC name of 2-methyl-4-piperazin-1-ylbutan-2-ol (CID 12052275) is 2-methyl-4-piperazin-1-ylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-piperazin-1-ylbutan-2-ol?
The canonical SMILES for 2-methyl-4-piperazin-1-ylbutan-2-ol is CC(C)(O)CCN1CCNCC1.
What is the InChIKey of 2-methyl-4-piperazin-1-ylbutan-2-ol?
The InChIKey is YBASWHAGJKHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,12)3-6-11-7-4-10-5-8-11/h10,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-piperazin-1-ylbutan-2-ol?
2-methyl-4-piperazin-1-ylbutan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-ylbutan-2-ol is sourced from PubChem (CID 12052275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).