1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine

C14H21ClN2O — CID 117425714

IUPAC1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
SMILESCCc1cc(Cl)cc(CN2CCNCC2)c1OC
InChIInChI=1S/C14H21ClN2O/c1-3-11-8-13(15)9-12(14(11)18-2)10-17-6-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3
InChIKeyFJLLECXCSODZDW-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.32
Rot. Bonds4

About 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine

1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine (PubChem CID 117425714) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
PubChem CID117425714
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
SMILESCCc1cc(Cl)cc(CN2CCNCC2)c1OC
InChIInChI=1S/C14H21ClN2O/c1-3-11-8-13(15)9-12(14(11)18-2)10-17-6-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3
InChIKeyFJLLECXCSODZDW-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[(5-ethyl-2,3-dimethoxyphenyl)methyl]piperazine
CID 117415820
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[(5-ethyl-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117384414
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867
4-(5-chloro-3-ethyl-2-methoxyphenyl)piperidine
CID 117387972
1-[(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]piperazine
CID 117497936
1-[(5-fluoro-2-methoxy-3-methylsulfanylphenyl)methyl]piperazine
CID 117429286

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine (CID 117425714) is 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine is CCc1cc(Cl)cc(CN2CCNCC2)c1OC.
What is the InChIKey of 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine?
The InChIKey is FJLLECXCSODZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-11-8-13(15)9-12(14(11)18-2)10-17-6-4-16-5-7-17/h8-9,16H,3-7,10H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine?
1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine has a molecular weight of 268.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 117425714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).