1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine

C13H19ClN2O — CID 3437314

IUPAC1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
SMILESCOc1c(C)cc(Cl)cc1CN1CCNCC1
InChIInChI=1S/C13H19ClN2O/c1-10-7-12(14)8-11(13(10)17-2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyASCYLOBFIDEAKX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.06
Rot. Bonds3

About 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine

1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine (PubChem CID 3437314) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
PubChem CID3437314
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
SMILESCOc1c(C)cc(Cl)cc1CN1CCNCC1
InChIInChI=1S/C13H19ClN2O/c1-10-7-12(14)8-11(13(10)17-2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyASCYLOBFIDEAKX-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-3-ethyl-2-methoxyphenyl)methyl]piperazine
CID 117425714
1-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]piperazine
CID 117495714
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperazine
CID 117466502
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
CID 59161326
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
CID 2195012
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
1-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperazine
CID 117457867

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine (CID 3437314) is 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine is COc1c(C)cc(Cl)cc1CN1CCNCC1.
What is the InChIKey of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine?
The InChIKey is ASCYLOBFIDEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-7-12(14)8-11(13(10)17-2)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine?
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine has a molecular weight of 254.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 3437314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).