1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine

C14H21ClN2O — CID 82551173

IUPAC1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
SMILESCOc1cc(Cl)c(C)cc1CCN1CCNCC1
InChIInChI=1S/C14H21ClN2O/c1-11-9-12(14(18-2)10-13(11)15)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeySCFPXJILKWULBY-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine

1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine (PubChem CID 82551173) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
PubChem CID82551173
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
SMILESCOc1cc(Cl)c(C)cc1CCN1CCNCC1
InChIInChI=1S/C14H21ClN2O/c1-11-9-12(14(18-2)10-13(11)15)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3
InChIKeySCFPXJILKWULBY-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
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-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine (CID 82551173) is 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine is COc1cc(Cl)c(C)cc1CCN1CCNCC1.
What is the InChIKey of 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine?
The InChIKey is SCFPXJILKWULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11-9-12(14(18-2)10-13(11)15)3-6-17-7-4-16-5-8-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine?
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine has a molecular weight of 268.79 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 82551173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).