4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol

C12H27N3O — CID 64791015

IUPAC4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-11-9-15(8-7-14(11)4)6-5-12(2,10-16)13-3/h11,13,16H,5-10H2,1-4H3
InChIKeyVWAXLTJMAKGVJW-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds5

About 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol

4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64791015) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64791015
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-11-9-15(8-7-14(11)4)6-5-12(2,10-16)13-3/h11,13,16H,5-10H2,1-4H3
InChIKeyVWAXLTJMAKGVJW-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
CID 114540881
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
ethyl 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63635245
4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65246838
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 55218139
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64825671
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65322460

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol (CID 64791015) is 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCN1CCN(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is VWAXLTJMAKGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11-9-15(8-7-14(11)4)6-5-12(2,10-16)13-3/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64791015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).