3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol

C13H29N3O — CID 64788397

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
SMILESCCC(C)N1CCN(CC(C)(CO)NC)CC1
InChIInChI=1S/C13H29N3O/c1-5-12(2)16-8-6-15(7-9-16)10-13(3,11-17)14-4/h12,14,17H,5-11H2,1-4H3
InChIKeySVJMNHLDYAZGKG-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds6

About 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol

3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64788397) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64788397
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
SMILESCCC(C)N1CCN(CC(C)(CO)NC)CC1
InChIInChI=1S/C13H29N3O/c1-5-12(2)16-8-6-15(7-9-16)10-13(3,11-17)14-4/h12,14,17H,5-11H2,1-4H3
InChIKeySVJMNHLDYAZGKG-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64788398
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
3-(azepan-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64796730
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64795781
2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 64797300
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
CID 62775737
2-amino-3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62773087
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol (CID 64788397) is 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol is CCC(C)N1CCN(CC(C)(CO)NC)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is SVJMNHLDYAZGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-12(2)16-8-6-15(7-9-16)10-13(3,11-17)14-4/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol?
3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64788397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).