(2R)-3-methyl-2-piperazin-2-ylbutan-2-ol

C9H20N2O — CID 66797442

IUPAC(2R)-3-methyl-2-piperazin-2-ylbutan-2-ol
SMILESCC(C)[C@@](C)(O)C1CNCCN1
InChIInChI=1S/C9H20N2O/c1-7(2)9(3,12)8-6-10-4-5-11-8/h7-8,10-12H,4-6H2,1-3H3/t8?,9-/m1/s1
InChIKeyFWMIDOCQXUOCCE-YGPZHTELSA-N
MW172.27 g/mol
LogP-0.05
Rot. Bonds2

About (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol

(2R)-3-methyl-2-piperazin-2-ylbutan-2-ol (PubChem CID 66797442) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-piperazin-2-ylbutan-2-ol
PubChem CID66797442
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2R)-3-methyl-2-piperazin-2-ylbutan-2-ol
SMILESCC(C)[C@@](C)(O)C1CNCCN1
InChIInChI=1S/C9H20N2O/c1-7(2)9(3,12)8-6-10-4-5-11-8/h7-8,10-12H,4-6H2,1-3H3/t8?,9-/m1/s1
InChIKeyFWMIDOCQXUOCCE-YGPZHTELSA-N
XLogP-0.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol?
The IUPAC name of (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol (CID 66797442) is (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol.
What is the SMILES notation for (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol?
The canonical SMILES for (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol is CC(C)[C@@](C)(O)C1CNCCN1.
What is the InChIKey of (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol?
The InChIKey is FWMIDOCQXUOCCE-YGPZHTELSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(3,12)8-6-10-4-5-11-8/h7-8,10-12H,4-6H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol?
(2R)-3-methyl-2-piperazin-2-ylbutan-2-ol has a molecular weight of 172.27 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-piperazin-2-ylbutan-2-ol is sourced from PubChem (CID 66797442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).