2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one

C14H21N3O2 — CID 110480760

IUPAC2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
SMILESNC(CO)C(=O)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H21N3O2/c15-13(10-18)14(19)17-7-6-16-9-12(17)8-11-4-2-1-3-5-11/h1-5,12-13,16,18H,6-10,15H2
InChIKeyKFDLXJIIDIWUQL-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.65
Rot. Bonds4

About 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one

2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one (PubChem CID 110480760) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
PubChem CID110480760
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
SMILESNC(CO)C(=O)N1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H21N3O2/c15-13(10-18)14(19)17-7-6-16-9-12(17)8-11-4-2-1-3-5-11/h1-5,12-13,16,18H,6-10,15H2
InChIKeyKFDLXJIIDIWUQL-UHFFFAOYSA-N
XLogP-0.65
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one (CID 110480760) is 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one is NC(CO)C(=O)N1CCNCC1Cc1ccccc1.
What is the InChIKey of 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one?
The InChIKey is KFDLXJIIDIWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13(10-18)14(19)17-7-6-16-9-12(17)8-11-4-2-1-3-5-11/h1-5,12-13,16,18H,6-10,15H2.
What are the key properties of 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one?
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one has a molecular weight of 263.34 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 110480760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).