3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one

C15H21ClN2O2 — CID 142918406

IUPAC3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCOc1cc(Cl)ccc1CC(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H21ClN2O2/c1-11(15(19)18-7-5-17-6-8-18)9-12-3-4-13(16)10-14(12)20-2/h3-4,10-11,17H,5-9H2,1-2H3
InChIKeyCQTUUKBBWCKEMB-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.96
Rot. Bonds4

About 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one

3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 142918406) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID142918406
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCOc1cc(Cl)ccc1CC(C)C(=O)N1CCNCC1
InChIInChI=1S/C15H21ClN2O2/c1-11(15(19)18-7-5-17-6-8-18)9-12-3-4-13(16)10-14(12)20-2/h3-4,10-11,17H,5-9H2,1-2H3
InChIKeyCQTUUKBBWCKEMB-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4,5-dimethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83922731
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473217
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
(2R)-3-(4-chloro-2-methoxyphenyl)-2-methyl-1-[4-[2-[(1S)-2-methyl-1-(methylamino)propyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;propane
CID 91521893
N-[(1S)-1-[2-[4-[(2R)-3-(4-chloro-2-methoxyphenyl)-2-methylpropanoyl]piperazin-1-yl]-3-fluorophenyl]-2-methylpropyl]-2-(methylamino)acetamide
CID 44577091
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 119638946
3-(4-methoxy-2,3-dimethylphenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 70514709
3-(2-bromo-5-chlorophenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 58222122
3-(4-methoxy-2,3-dimethylphenyl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 70514708
tert-butyl N-[3-(4-chloro-2-hydroxyphenyl)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
CID 142918368
1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 119418204
2-(5-chloro-2-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 62304501

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one (CID 142918406) is 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one is COc1cc(Cl)ccc1CC(C)C(=O)N1CCNCC1.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is CQTUUKBBWCKEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(15(19)18-7-5-17-6-8-18)9-12-3-4-13(16)10-14(12)20-2/h3-4,10-11,17H,5-9H2,1-2H3.
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one?
3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 142918406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).