1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine

C15H23ClN2O2 — CID 117481365

IUPAC1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine
SMILESCOCc1cc(Cl)cc(OC)c1CCN1CCNCC1
InChIInChI=1S/C15H23ClN2O2/c1-19-11-12-9-13(16)10-15(20-2)14(12)3-6-18-7-4-17-5-8-18/h9-10,17H,3-8,11H2,1-2H3
InChIKeyVSMZVZKSYRSYSK-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.94
Rot. Bonds6

About 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine

1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine (PubChem CID 117481365) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine
PubChem CID117481365
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine
SMILESCOCc1cc(Cl)cc(OC)c1CCN1CCNCC1
InChIInChI=1S/C15H23ClN2O2/c1-19-11-12-9-13(16)10-15(20-2)14(12)3-6-18-7-4-17-5-8-18/h9-10,17H,3-8,11H2,1-2H3
InChIKeyVSMZVZKSYRSYSK-UHFFFAOYSA-N
XLogP1.94
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[2-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)ethyl]piperazine
CID 117495669
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
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-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine (CID 117481365) is 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine is COCc1cc(Cl)cc(OC)c1CCN1CCNCC1.
What is the InChIKey of 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine?
The InChIKey is VSMZVZKSYRSYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-19-11-12-9-13(16)10-15(20-2)14(12)3-6-18-7-4-17-5-8-18/h9-10,17H,3-8,11H2,1-2H3.
What are the key properties of 1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine?
1-[2-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine has a molecular weight of 298.81 g/mol, XLogP of 1.94, 6 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-methoxy-6-(methoxymethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117481365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).