4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one

C14H21N3O2 — CID 63600937

IUPAC4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1CC(O)c1ccccc1N
InChIInChI=1S/C14H21N3O2/c1-2-12-14(19)16-7-8-17(12)9-13(18)10-5-3-4-6-11(10)15/h3-6,12-13,18H,2,7-9,15H2,1H3,(H,16,19)
InChIKeyAFCOSTMYEHSYRB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.51
Rot. Bonds4

About 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one

4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one (PubChem CID 63600937) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one
PubChem CID63600937
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1CC(O)c1ccccc1N
InChIInChI=1S/C14H21N3O2/c1-2-12-14(19)16-7-8-17(12)9-13(18)10-5-3-4-6-11(10)15/h3-6,12-13,18H,2,7-9,15H2,1H3,(H,16,19)
InChIKeyAFCOSTMYEHSYRB-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
4-[(3-amino-4-hydroxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63602866
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
4-[2-[2-(aminomethyl)phenyl]-2-hydroxyethyl]-3-phenylpiperazin-2-one
CID 70381027
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,4-diazepan-2-one
CID 65360931
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63601447
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
CID 63601149

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one (CID 63600937) is 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1CC(O)c1ccccc1N.
What is the InChIKey of 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one?
The InChIKey is AFCOSTMYEHSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-12-14(19)16-7-8-17(12)9-13(18)10-5-3-4-6-11(10)15/h3-6,12-13,18H,2,7-9,15H2,1H3,(H,16,19).
What are the key properties of 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one?
4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).