2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one

C13H19N3O2 — CID 110480763

IUPAC2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one
SMILESNC(CO)C(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H19N3O2/c14-11(9-17)13(18)16-7-6-15-12(8-16)10-4-2-1-3-5-10/h1-5,11-12,15,17H,6-9,14H2
InChIKeyIGWQTTZIWDYODS-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.52
Rot. Bonds3

About 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one

2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110480763) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one
PubChem CID110480763
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one
SMILESNC(CO)C(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C13H19N3O2/c14-11(9-17)13(18)16-7-6-15-12(8-16)10-4-2-1-3-5-10/h1-5,11-12,15,17H,6-9,14H2
InChIKeyIGWQTTZIWDYODS-UHFFFAOYSA-N
XLogP-0.52
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one (CID 110480763) is 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one is NC(CO)C(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is IGWQTTZIWDYODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11(9-17)13(18)16-7-6-15-12(8-16)10-4-2-1-3-5-10/h1-5,11-12,15,17H,6-9,14H2.
What are the key properties of 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one?
2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 249.31 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-1-(3-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110480763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).