1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine

C14H22N2O — CID 63863142

IUPAC1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1cccc(CN2CC(C)NC(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-8-16(9-12(2)15-11)10-13-5-4-6-14(7-13)17-3/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyCTNXVWIDSVAFEN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds3

About 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine

1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine (PubChem CID 63863142) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
PubChem CID63863142
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1cccc(CN2CC(C)NC(C)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-8-16(9-12(2)15-11)10-13-5-4-6-14(7-13)17-3/h4-7,11-12,15H,8-10H2,1-3H3
InChIKeyCTNXVWIDSVAFEN-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 67380464
[4-[(3-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanamine
CID 102938955
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
1-[(3-methoxyphenyl)methyl]-3-methyl-1,5-diazocane
CID 54980333
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine (CID 63863142) is 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine is COc1cccc(CN2CC(C)NC(C)C2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is CTNXVWIDSVAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-16(9-12(2)15-11)10-13-5-4-6-14(7-13)17-3/h4-7,11-12,15H,8-10H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine?
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63863142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).