1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine

C15H23ClN2O2 — CID 117481369

IUPAC1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
SMILESCOc1c(Cl)cc(CCN2CCNCC2)c(C)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-11-12(4-7-18-8-5-17-6-9-18)10-13(16)15(20-3)14(11)19-2/h10,17H,4-9H2,1-3H3
InChIKeyNZTBHOOFLIIMKV-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine

1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine (PubChem CID 117481369) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
PubChem CID117481369
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
SMILESCOc1c(Cl)cc(CCN2CCNCC2)c(C)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-11-12(4-7-18-8-5-17-6-9-18)10-13(16)15(20-3)14(11)19-2/h10,17H,4-9H2,1-3H3
InChIKeyNZTBHOOFLIIMKV-UHFFFAOYSA-N
XLogP2.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]piperazine
CID 117497936

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine (CID 117481369) is 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine is COc1c(Cl)cc(CCN2CCNCC2)c(C)c1OC.
What is the InChIKey of 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine?
The InChIKey is NZTBHOOFLIIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11-12(4-7-18-8-5-17-6-9-18)10-13(16)15(20-3)14(11)19-2/h10,17H,4-9H2,1-3H3.
What are the key properties of 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine?
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine has a molecular weight of 298.81 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 117481369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).