1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one

C15H21ClN2O3 — CID 82268072

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1cc(OC)c(C(=O)CCN2CCNCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-20-14-10-15(21-2)12(16)9-11(14)13(19)3-6-18-7-4-17-5-8-18/h9-10,17H,3-8H2,1-2H3
InChIKeyAKQIXHMIZMLIGJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.84
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one

1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82268072) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82268072
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCOc1cc(OC)c(C(=O)CCN2CCNCC2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-20-14-10-15(21-2)12(16)9-11(14)13(19)3-6-18-7-4-17-5-8-18/h9-10,17H,3-8H2,1-2H3
InChIKeyAKQIXHMIZMLIGJ-UHFFFAOYSA-N
XLogP1.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266700
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
1-(4-methoxy-2,6-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82136471
1-(2,4-dichloro-6-methoxyphenyl)-2-piperazin-1-ylethanone
CID 82554124
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82268072) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one is COc1cc(OC)c(C(=O)CCN2CCNCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is AKQIXHMIZMLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-20-14-10-15(21-2)12(16)9-11(14)13(19)3-6-18-7-4-17-5-8-18/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one?
1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 312.80 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82268072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).