1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol

C11H25N3O — CID 83989506

IUPAC1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(N)CN(CCN)C1
InChIInChI=1S/C11H25N3O/c1-2-11(15)6-9-5-10(13)8-14(7-9)4-3-12/h9-11,15H,2-8,12-13H2,1H3
InChIKeyJNOJISWJYKINAY-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.24
Rot. Bonds5

About 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol

1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol (PubChem CID 83989506) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol
PubChem CID83989506
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(N)CN(CCN)C1
InChIInChI=1S/C11H25N3O/c1-2-11(15)6-9-5-10(13)8-14(7-9)4-3-12/h9-11,15H,2-8,12-13H2,1H3
InChIKeyJNOJISWJYKINAY-UHFFFAOYSA-N
XLogP-0.24
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-1-ethylpiperidin-3-yl)butan-2-ol
CID 83988996
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542070
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
2-(5-amino-1-propylpiperidin-3-yl)ethanol
CID 83989015
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol (CID 83989506) is 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(N)CN(CCN)C1.
What is the InChIKey of 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol?
The InChIKey is JNOJISWJYKINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-2-11(15)6-9-5-10(13)8-14(7-9)4-3-12/h9-11,15H,2-8,12-13H2,1H3.
What are the key properties of 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol?
1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(2-aminoethyl)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).