2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine

C14H22N2O — CID 116928023

IUPAC2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
SMILESCCOc1ccc(CC2CNCCN2C)cc1
InChIInChI=1S/C14H22N2O/c1-3-17-14-6-4-12(5-7-14)10-13-11-15-8-9-16(13)2/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyCKAMDKUZCMRWJX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.53
Rot. Bonds4

About 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine

2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine (PubChem CID 116928023) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
PubChem CID116928023
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
SMILESCCOc1ccc(CC2CNCCN2C)cc1
InChIInChI=1S/C14H22N2O/c1-3-17-14-6-4-12(5-7-14)10-13-11-15-8-9-16(13)2/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyCKAMDKUZCMRWJX-UHFFFAOYSA-N
XLogP1.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine 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

4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
CID 115238316
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
1-methyl-2-(4-propoxyphenyl)piperazine
CID 82290917
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
methyl 2-[4-[[(2R)-1-acetylpiperazin-2-yl]methyl]phenoxy]acetate
CID 59447925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine (CID 116928023) is 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine is CCOc1ccc(CC2CNCCN2C)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine?
The InChIKey is CKAMDKUZCMRWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-14-6-4-12(5-7-14)10-13-11-15-8-9-16(13)2/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine?
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 116928023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).