2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone

C15H22FN3O — CID 62134144

IUPAC2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCc1cc(F)ccc1CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-12-9-14(16)4-3-13(12)10-18(2)11-15(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyIJAGHOARMQTMTQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.00
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone

2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 62134144) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID62134144
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCc1cc(F)ccc1CN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H22FN3O/c1-12-9-14(16)4-3-13(12)10-18(2)11-15(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3
InChIKeyIJAGHOARMQTMTQ-UHFFFAOYSA-N
XLogP1.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone 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

2-[(2-bromo-5-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017528
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018400
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 64770262
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319
2-(2,4-difluorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454848
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120836001
2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8695674
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone (CID 62134144) is 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone is Cc1cc(F)ccc1CN(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is IJAGHOARMQTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12-9-14(16)4-3-13(12)10-18(2)11-15(20)19-7-5-17-6-8-19/h3-4,9,17H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 279.36 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 62134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).