2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

C15H24ClN3O2 — CID 119929401

IUPAC2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCOc1ccc(CN(C)CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-17(11-13-3-5-14(20-2)6-4-13)12-15(19)18-9-7-16-8-10-18;/h3-6,16H,7-12H2,1-2H3;1H
InChIKeySZVZRSOSJYTGNU-UHFFFAOYSA-N
MW313.83 g/mol
LogP0.98
Rot. Bonds5

About 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride

2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119929401) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119929401
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
SMILESCOc1ccc(CN(C)CC(=O)N2CCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-17(11-13-3-5-14(20-2)6-4-13)12-15(19)18-9-7-16-8-10-18;/h3-6,16H,7-12H2,1-2H3;1H
InChIKeySZVZRSOSJYTGNU-UHFFFAOYSA-N
XLogP0.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120836001
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 8760904
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
N-[(4-bromophenyl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788500

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride (CID 119929401) is 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is COc1ccc(CN(C)CC(=O)N2CCNCC2)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is SZVZRSOSJYTGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-17(11-13-3-5-14(20-2)6-4-13)12-15(19)18-9-7-16-8-10-18;/h3-6,16H,7-12H2,1-2H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride?
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119929401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).