1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one

C14H18Cl2N2O2 — CID 155484090

IUPAC1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Cl)c(Cl)c(OC)c2)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-13(19)18-6-4-17(5-7-18)10-8-11(15)14(16)12(9-10)20-2/h8-9H,3-7H2,1-2H3
InChIKeyUFEMEZUJTISFMA-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.06
Rot. Bonds3

About 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one

1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 155484090) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID155484090
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Cl)c(Cl)c(OC)c2)CC1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-13(19)18-6-4-17(5-7-18)10-8-11(15)14(16)12(9-10)20-2/h8-9H,3-7H2,1-2H3
InChIKeyUFEMEZUJTISFMA-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]ethanone
CID 4670659
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
1-[4-(4-chloro-3-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 143061636
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
1-[4-(2,5-dichloro-4-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805791
1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 176932959
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
1-[4-(4-chloro-3-fluoro-5-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 146652443
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113080051
2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110767057
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 155484090) is 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(Cl)c(Cl)c(OC)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is UFEMEZUJTISFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-13(19)18-6-4-17(5-7-18)10-8-11(15)14(16)12(9-10)20-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one?
1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 317.22 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichloro-5-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 155484090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).