1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone

C13H18N2O — CID 21404567

IUPAC1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C13H18N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKeyCQBURUJINHGLAC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.64
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone

1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone (PubChem CID 21404567) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
PubChem CID21404567
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1N1CCN(C)CC1
InChIInChI=1S/C13H18N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKeyCQBURUJINHGLAC-UHFFFAOYSA-N
XLogP1.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 174711988
(Z)-3-[2-(4-methylpiperazin-1-yl)phenyl]but-2-enoic acid
CID 21187011
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanone
CID 63610409
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
(E)-3-[3-[(E)-3-[2-(4-methylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 44818666
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]ethanone
CID 79938702
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
1-[2-(6-thia-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]ethanone
CID 84796370
3-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 76936194
1-[2-fluoro-3-(4-propylpiperazin-1-yl)phenyl]ethanone
CID 67532992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone (CID 21404567) is 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone is CC(=O)c1ccccc1N1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is CQBURUJINHGLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone?
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 21404567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).