4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one

C14H21N3O — CID 107926218

IUPAC4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccc(C)cc1CN
InChIInChI=1S/C14H21N3O/c1-3-12-14(18)16-6-7-17(12)13-5-4-10(2)8-11(13)9-15/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyQJAMEJXAXLOSEH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.17
Rot. Bonds3

About 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one

4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one (PubChem CID 107926218) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one
PubChem CID107926218
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccc(C)cc1CN
InChIInChI=1S/C14H21N3O/c1-3-12-14(18)16-6-7-17(12)13-5-4-10(2)8-11(13)9-15/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyQJAMEJXAXLOSEH-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)-4-methylbenzonitrile
CID 63601066
4-(4-amino-2-chlorophenyl)-3-ethylpiperazin-2-one
CID 55227245
4-[4-chloro-2-(methylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851218
4-[4-amino-2-(difluoromethyl)phenyl]-3-ethylpiperazin-2-one
CID 55229272
4-(3-amino-5-methylphenyl)-3-ethylpiperazin-2-one
CID 112647787
2-(2-ethyl-3-oxopiperazin-1-yl)-5-fluorobenzaldehyde
CID 55217306
4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
CID 55216726
4-(2-amino-4-fluoro-5-methylphenyl)-3-ethylpiperazin-2-one
CID 103590402
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
4-(2-amino-4-methylphenyl)-3-ethylpiperazine-2,6-dione
CID 66069644
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one (CID 107926218) is 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1c1ccc(C)cc1CN.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one?
The InChIKey is QJAMEJXAXLOSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-12-14(18)16-6-7-17(12)13-5-4-10(2)8-11(13)9-15/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one?
4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylphenyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 107926218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).