2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine

C14H22N2O — CID 116829237

IUPAC2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine
SMILESCCOc1ccc(C2NCCNC2C)cc1C
InChIInChI=1S/C14H22N2O/c1-4-17-13-6-5-12(9-10(13)2)14-11(3)15-7-8-16-14/h5-6,9,11,14-16H,4,7-8H2,1-3H3
InChIKeyRKYFZXLFOKZSAE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine

2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine (PubChem CID 116829237) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine
PubChem CID116829237
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine
SMILESCCOc1ccc(C2NCCNC2C)cc1C
InChIInChI=1S/C14H22N2O/c1-4-17-13-6-5-12(9-10(13)2)14-11(3)15-7-8-16-14/h5-6,9,11,14-16H,4,7-8H2,1-3H3
InChIKeyRKYFZXLFOKZSAE-UHFFFAOYSA-N
XLogP2.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
CID 116821986
2-(4-ethoxy-3-methylphenyl)-3-methyloxirane
CID 116863457
2-methyl-3-(3-methylphenyl)piperazine
CID 116829299
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
5-(3-methylpiperazin-2-yl)-3H-1,3-benzoxazol-2-one
CID 116829287
methyl (4R)-4-(4-ethoxy-3-methylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 885753
(4-ethoxy-3-methylphenyl)-piperidin-4-ylmethanone
CID 82295897
1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole
CID 116829283

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine (CID 116829237) is 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine is CCOc1ccc(C2NCCNC2C)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine?
The InChIKey is RKYFZXLFOKZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-17-13-6-5-12(9-10(13)2)14-11(3)15-7-8-16-14/h5-6,9,11,14-16H,4,7-8H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine?
2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine is sourced from PubChem (CID 116829237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).