1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol

C12H27N3O — CID 65277904

IUPAC1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
SMILESCCC(CCN)N1CCN(CC(C)O)CC1
InChIInChI=1S/C12H27N3O/c1-3-12(4-5-13)15-8-6-14(7-9-15)10-11(2)16/h11-12,16H,3-10,13H2,1-2H3
InChIKeySIVGZZBTZBKPKY-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.11
Rot. Bonds6

About 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol (PubChem CID 65277904) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
PubChem CID65277904
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
SMILESCCC(CCN)N1CCN(CC(C)O)CC1
InChIInChI=1S/C12H27N3O/c1-3-12(4-5-13)15-8-6-14(7-9-15)10-11(2)16/h11-12,16H,3-10,13H2,1-2H3
InChIKeySIVGZZBTZBKPKY-UHFFFAOYSA-N
XLogP0.11
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022
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
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62777232
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]pentan-1-amine
CID 115513334
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol (CID 65277904) is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol is CCC(CCN)N1CCN(CC(C)O)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is SIVGZZBTZBKPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-12(4-5-13)15-8-6-14(7-9-15)10-11(2)16/h11-12,16H,3-10,13H2,1-2H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol?
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 229.37 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 65277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).