4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one

C19H23N3O2 — CID 70381027

IUPAC4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one
SMILESNCc1ccccc1C(O)CN1CCNC(=O)C1c1ccccc1
InChIInChI=1S/C19H23N3O2/c20-12-15-8-4-5-9-16(15)17(23)13-22-11-10-21-19(24)18(22)14-6-2-1-3-7-14/h1-9,17-18,23H,10-13,20H2,(H,21,24)
InChIKeyPASMNHRTWSRXCM-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.35
Rot. Bonds5

About 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one

4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one (PubChem CID 70381027) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one
PubChem CID70381027
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one
SMILESNCc1ccccc1C(O)CN1CCNC(=O)C1c1ccccc1
InChIInChI=1S/C19H23N3O2/c20-12-15-8-4-5-9-16(15)17(23)13-22-11-10-21-19(24)18(22)14-6-2-1-3-7-14/h1-9,17-18,23H,10-13,20H2,(H,21,24)
InChIKeyPASMNHRTWSRXCM-UHFFFAOYSA-N
XLogP1.35
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)phenyl]-2-(2-phenylpiperazin-1-yl)ethanol
CID 21292120
4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one
CID 63600937
(7S,11bS)-8-(aminomethyl)-7-phenyl-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one;dihydrochloride
CID 70381856
4-(2-hydroxy-2-phenylethyl)-3-[2-(methylamino)phenyl]piperazin-2-one
CID 70380981
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
4-[2-(benzenesulfonyl)ethyl]-3-phenylpiperazin-2-one
CID 122137342
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
CID 21292130
2-[(3-oxo-2-phenylpiperazin-1-yl)methyl]-2-azaspiro[4.4]nonan-1-one
CID 167795573
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one?
The IUPAC name of 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one (CID 70381027) is 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one is NCc1ccccc1C(O)CN1CCNC(=O)C1c1ccccc1.
What is the InChIKey of 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one?
The InChIKey is PASMNHRTWSRXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-12-15-8-4-5-9-16(15)17(23)13-22-11-10-21-19(24)18(22)14-6-2-1-3-7-14/h1-9,17-18,23H,10-13,20H2,(H,21,24).
What are the key properties of 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one?
4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one has a molecular weight of 325.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one is sourced from PubChem (CID 70381027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).