1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine

C16H24Cl2N2O — CID 170863805

IUPAC1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
SMILESCCOc1c(Cl)cc(Cl)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C16H24Cl2N2O/c1-3-21-16-13(11-14(17)12-15(16)18)5-4-6-20-9-7-19(2)8-10-20/h11-12H,3-10H2,1-2H3
InChIKeyJXFPKNRGRVEKLA-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.57
Rot. Bonds6

About 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine

1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170863805) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170863805
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine
SMILESCCOc1c(Cl)cc(Cl)cc1CCCN1CCN(C)CC1
InChIInChI=1S/C16H24Cl2N2O/c1-3-21-16-13(11-14(17)12-15(16)18)5-4-6-20-9-7-19(2)8-10-20/h11-12H,3-10H2,1-2H3
InChIKeyJXFPKNRGRVEKLA-UHFFFAOYSA-N
XLogP3.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863796
1-[3-(3-chloro-5-methyl-2-propoxyphenyl)propyl]-4-methylpiperazine
CID 170863787
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
2-bromo-4-chloro-6-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862555
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
3-(3,5-dichloro-2-ethoxyphenyl)propyl thiocyanate
CID 112719473
4-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]-1-methyltriazole
CID 112719478
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
3-ethoxy-N,N-diethyl-4-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 170863629
1-[3-(4-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propyl]-4-methylpiperazine
CID 170863849

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine (CID 170863805) is 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine is CCOc1c(Cl)cc(Cl)cc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is JXFPKNRGRVEKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-3-21-16-13(11-14(17)12-15(16)18)5-4-6-20-9-7-19(2)8-10-20/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 331.29 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dichloro-2-ethoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170863805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).