2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol

C10H22N2O — CID 79355818

IUPAC2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
SMILESCC1CN(CCC(C)(C)O)CCN1
InChIInChI=1S/C10H22N2O/c1-9-8-12(7-5-11-9)6-4-10(2,3)13/h9,11,13H,4-8H2,1-3H3
InChIKeyOITBHDOYAMZBFT-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.44
Rot. Bonds3

About 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol

2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol (PubChem CID 79355818) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
PubChem CID79355818
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
SMILESCC1CN(CCC(C)(C)O)CCN1
InChIInChI=1S/C10H22N2O/c1-9-8-12(7-5-11-9)6-4-10(2,3)13/h9,11,13H,4-8H2,1-3H3
InChIKeyOITBHDOYAMZBFT-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
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2,2-dimethyl-4-(3-methylpiperazin-1-yl)butanenitrile
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(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
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1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
1-(2-tert-butylsulfonylethyl)-3-methylpiperazine
CID 103815500
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-3-methylpiperazine
CID 131010612
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
CID 104976946
3-methyl-1-prop-2-ynylpiperazine
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N,N-dimethyl-3-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976767

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol (CID 79355818) is 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol is CC1CN(CCC(C)(C)O)CCN1.
What is the InChIKey of 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol?
The InChIKey is OITBHDOYAMZBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9-8-12(7-5-11-9)6-4-10(2,3)13/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol?
2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 79355818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).