1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine

C14H22N2O — CID 59161326

IUPAC1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
SMILESCOc1c(CN2CCNCC2)ccc(C)c1C
InChIInChI=1S/C14H22N2O/c1-11-4-5-13(14(17-3)12(11)2)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
InChIKeyCOLWALUTTADROL-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.72
Rot. Bonds3

About 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine

1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine (PubChem CID 59161326) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
PubChem CID59161326
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine
SMILESCOc1c(CN2CCNCC2)ccc(C)c1C
InChIInChI=1S/C14H22N2O/c1-11-4-5-13(14(17-3)12(11)2)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3
InChIKeyCOLWALUTTADROL-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-3,4-dimethylphenyl)methyl]piperazine
CID 117374509
1-[(3,4-difluoro-2-methoxyphenyl)methyl]piperazine
CID 115006374
1-[(4-bromo-3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 117488144
6-fluoro-2-methoxy-3-(piperazin-1-ylmethyl)phenol
CID 117353436
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[(3-bromo-2-methoxy-6-methylphenyl)methyl]piperazine
CID 117482052
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
4-methoxy-1-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117408497
1-[[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]methyl]piperazine
CID 117424714
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine (CID 59161326) is 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine is COc1c(CN2CCNCC2)ccc(C)c1C.
What is the InChIKey of 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine?
The InChIKey is COLWALUTTADROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-4-5-13(14(17-3)12(11)2)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3.
What are the key properties of 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine?
1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3,4-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 59161326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).