1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol

C11H25N3O — CID 65278022

IUPAC1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
SMILESCCC(CN)N1CCN(CC(C)O)CC1
InChIInChI=1S/C11H25N3O/c1-3-11(8-12)14-6-4-13(5-7-14)9-10(2)15/h10-11,15H,3-9,12H2,1-2H3
InChIKeyJBUADIDNBHBYPD-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds5

About 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol (PubChem CID 65278022) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
PubChem CID65278022
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
SMILESCCC(CN)N1CCN(CC(C)O)CC1
InChIInChI=1S/C11H25N3O/c1-3-11(8-12)14-6-4-13(5-7-14)9-10(2)15/h10-11,15H,3-9,12H2,1-2H3
InChIKeyJBUADIDNBHBYPD-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

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol
CID 106835618
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
CID 139832285
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
CID 112588468
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
CID 63340654
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol (CID 65278022) is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol is CCC(CN)N1CCN(CC(C)O)CC1.
What is the InChIKey of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is JBUADIDNBHBYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-3-11(8-12)14-6-4-13(5-7-14)9-10(2)15/h10-11,15H,3-9,12H2,1-2H3.
What are the key properties of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol?
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-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 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 65278022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).