3-methyl-2-piperazin-1-ylbutan-1-ol

C9H20N2O — CID 61317705

IUPAC3-methyl-2-piperazin-1-ylbutan-1-ol
SMILESCC(C)C(CO)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-8(2)9(7-12)11-5-3-10-4-6-11/h8-10,12H,3-7H2,1-2H3
InChIKeyXEAAIOICMCCSCF-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds3

About 3-methyl-2-piperazin-1-ylbutan-1-ol

3-methyl-2-piperazin-1-ylbutan-1-ol (PubChem CID 61317705) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methyl-2-piperazin-1-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-2-piperazin-1-ylbutan-1-ol
PubChem CID61317705
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-methyl-2-piperazin-1-ylbutan-1-ol
SMILESCC(C)C(CO)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-8(2)9(7-12)11-5-3-10-4-6-11/h8-10,12H,3-7H2,1-2H3
InChIKeyXEAAIOICMCCSCF-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-piperazin-1-ylpentan-1-ol
CID 83817608
(2S)-3-[4-[(3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]butane-1,2,4-triol;tetrahydrochloride
CID 175675084
(2R,3S)-3-(1,4,7,10-tetrazacyclododec-1-yl)butane-1,2,4-triol;tetrahydrochloride
CID 169490742
(2R)-3-methyl-2-thiomorpholin-4-ylbutan-1-ol
CID 170651013
3-piperazin-1-ylbutane-1,2-diol
CID 163627415
(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
CID 163688577
3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
CID 61324971
3-methyl-2-(1-oxo-1,4-thiazinan-4-yl)butan-1-ol
CID 155068070
7-[(2S,3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
CID 171935508
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-piperazin-1-ylbutan-1-ol?
The IUPAC name of 3-methyl-2-piperazin-1-ylbutan-1-ol (CID 61317705) is 3-methyl-2-piperazin-1-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-2-piperazin-1-ylbutan-1-ol?
The canonical SMILES for 3-methyl-2-piperazin-1-ylbutan-1-ol is CC(C)C(CO)N1CCNCC1.
What is the InChIKey of 3-methyl-2-piperazin-1-ylbutan-1-ol?
The InChIKey is XEAAIOICMCCSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)9(7-12)11-5-3-10-4-6-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-methyl-2-piperazin-1-ylbutan-1-ol?
3-methyl-2-piperazin-1-ylbutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-piperazin-1-ylbutan-1-ol is sourced from PubChem (CID 61317705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).