4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one

C11H23N3O2 — CID 66431112

IUPAC4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCCC1)NCCO
InChIInChI=1S/C11H23N3O2/c12-9-10(13-4-7-15)8-11(16)14-5-2-1-3-6-14/h10,13,15H,1-9,12H2
InChIKeyLGCXCWNIWZKMKQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.70
Rot. Bonds6

About 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one

4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one (PubChem CID 66431112) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one
PubChem CID66431112
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one
SMILESNCC(CC(=O)N1CCCCC1)NCCO
InChIInChI=1S/C11H23N3O2/c12-9-10(13-4-7-15)8-11(16)14-5-2-1-3-6-14/h10,13,15H,1-9,12H2
InChIKeyLGCXCWNIWZKMKQ-UHFFFAOYSA-N
XLogP-0.70
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one (CID 66431112) is 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one is NCC(CC(=O)N1CCCCC1)NCCO.
What is the InChIKey of 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one?
The InChIKey is LGCXCWNIWZKMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-9-10(13-4-7-15)8-11(16)14-5-2-1-3-6-14/h10,13,15H,1-9,12H2.
What are the key properties of 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one?
4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one has a molecular weight of 229.32 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-hydroxyethylamino)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66431112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).