1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine

C14H21ClN2O2 — CID 117458584

IUPAC1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1c(Cl)ccc(CCN2CCNCC2)c1OC
InChIInChI=1S/C14H21ClN2O2/c1-18-13-11(3-4-12(15)14(13)19-2)5-8-17-9-6-16-7-10-17/h3-4,16H,5-10H2,1-2H3
InChIKeyMXEOPVHLJIZZRY-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine

1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine (PubChem CID 117458584) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
PubChem CID117458584
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1c(Cl)ccc(CCN2CCNCC2)c1OC
InChIInChI=1S/C14H21ClN2O2/c1-18-13-11(3-4-12(15)14(13)19-2)5-8-17-9-6-16-7-10-17/h3-4,16H,5-10H2,1-2H3
InChIKeyMXEOPVHLJIZZRY-UHFFFAOYSA-N
XLogP1.80
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117465754
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine (CID 117458584) is 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine is COc1c(Cl)ccc(CCN2CCNCC2)c1OC.
What is the InChIKey of 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is MXEOPVHLJIZZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-18-13-11(3-4-12(15)14(13)19-2)5-8-17-9-6-16-7-10-17/h3-4,16H,5-10H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine?
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 284.79 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 117458584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).