4-[2-(ethylaminomethyl)phenyl]piperazin-2-one

C13H19N3O — CID 43281159

IUPAC4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
SMILESCCNCc1ccccc1N1CCNC(=O)C1
InChIInChI=1S/C13H19N3O/c1-2-14-9-11-5-3-4-6-12(11)16-8-7-15-13(17)10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyBKUVPKYCEPDKAN-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.73
Rot. Bonds4

About 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one

4-[2-(ethylaminomethyl)phenyl]piperazin-2-one (PubChem CID 43281159) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
PubChem CID43281159
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
SMILESCCNCc1ccccc1N1CCNC(=O)C1
InChIInChI=1S/C13H19N3O/c1-2-14-9-11-5-3-4-6-12(11)16-8-7-15-13(17)10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyBKUVPKYCEPDKAN-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004166
2-methyl-3-[2-(3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117410307
4-(2-propanoylphenyl)piperazin-2-one
CID 112677272
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
4-[4-(ethylaminomethyl)-3-methylphenyl]-1,4-diazepan-2-one
CID 65366483
1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
CID 61349411
4-[2-methyl-4-(propylaminomethyl)phenyl]piperazin-2-one
CID 62120487
4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one
CID 63059984
4-[2-(ethylaminomethyl)phenyl]morpholine-3,5-dione
CID 61350180
N-[[2-(3,3-dimethoxyazetidin-1-yl)phenyl]methyl]ethanamine
CID 79677271

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one (CID 43281159) is 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one is CCNCc1ccccc1N1CCNC(=O)C1.
What is the InChIKey of 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one?
The InChIKey is BKUVPKYCEPDKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-14-9-11-5-3-4-6-12(11)16-8-7-15-13(17)10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17).
What are the key properties of 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one?
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one has a molecular weight of 233.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylaminomethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 43281159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).