1-[(2-chloro-4-methoxyphenyl)methyl]piperazine

C12H17ClN2O — CID 5037695

IUPAC1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-16-11-3-2-10(12(13)8-11)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySXFFFZRGIDFIIR-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.75
Rot. Bonds3

About 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine

1-[(2-chloro-4-methoxyphenyl)methyl]piperazine (PubChem CID 5037695) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
PubChem CID5037695
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCNCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-16-11-3-2-10(12(13)8-11)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeySXFFFZRGIDFIIR-UHFFFAOYSA-N
XLogP1.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117400621
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4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
CID 117377580
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[2-(2-chloro-4-methoxyphenyl)propyl]piperazine
CID 82305391
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
CID 117395379
1-[[2-chloro-4-(1-fluoroethyl)phenyl]methyl]piperazine
CID 117395462
2-chloro-4-methoxy-N-(2-piperazin-1-ylethyl)aniline
CID 115230289
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
[3-chloro-4-(piperazin-1-ylmethyl)phenyl]boronic acid;hydrochloride
CID 91759304

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine (CID 5037695) is 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine?
The InChIKey is SXFFFZRGIDFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-11-3-2-10(12(13)8-11)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine?
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine has a molecular weight of 240.73 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5037695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).