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

C11H25N3O — CID 64786472

IUPAC2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
SMILESCCC(C)N1CCN(CC(N)CO)CC1
InChIInChI=1S/C11H25N3O/c1-3-10(2)14-6-4-13(5-7-14)8-11(12)9-15/h10-11,15H,3-9,12H2,1-2H3
InChIKeyFBCDQCZCUHDDGS-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds5

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

2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 64786472) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID64786472
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
SMILESCCC(C)N1CCN(CC(N)CO)CC1
InChIInChI=1S/C11H25N3O/c1-3-10(2)14-6-4-13(5-7-14)8-11(12)9-15/h10-11,15H,3-9,12H2,1-2H3
InChIKeyFBCDQCZCUHDDGS-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine
CID 173029681
3-(4-butan-2-ylpiperazin-1-yl)-2-methylpropanenitrile
CID 62772469
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
1-[2-(bromomethyl)pentyl]-4-butan-2-ylpiperazine
CID 65012847
4-(4-ethylpiperazin-1-yl)pentan-2-amine
CID 64707978
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
methyl 3-(4-butan-2-ylpiperazin-1-yl)-2-(propylamino)propanoate
CID 62773852
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol (CID 64786472) is 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol is CCC(C)N1CCN(CC(N)CO)CC1.
What is the InChIKey of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is FBCDQCZCUHDDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-10(2)14-6-4-13(5-7-14)8-11(12)9-15/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol?
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 64786472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).