1-(3-ethyl-4-methylphenyl)-4-methylpiperazine

C14H22N2 — CID 142939329

IUPAC1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
SMILESCCc1cc(N2CCN(C)CC2)ccc1C
InChIInChI=1S/C14H22N2/c1-4-13-11-14(6-5-12(13)2)16-9-7-15(3)8-10-16/h5-6,11H,4,7-10H2,1-3H3
InChIKeyMXSGRWKGFRILHJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine

1-(3-ethyl-4-methylphenyl)-4-methylpiperazine (PubChem CID 142939329) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
PubChem CID142939329
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
SMILESCCc1cc(N2CCN(C)CC2)ccc1C
InChIInChI=1S/C14H22N2/c1-4-13-11-14(6-5-12(13)2)16-9-7-15(3)8-10-16/h5-6,11H,4,7-10H2,1-3H3
InChIKeyMXSGRWKGFRILHJ-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
2-ethyl-6-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 83714543
1-[3-ethyl-4-(trifluoromethoxy)phenyl]-4-methylpiperazine
CID 143781456
2-[4-[3-[[ethyl(methyl)amino]methyl]-4-methylphenyl]piperazin-1-yl]ethanol
CID 143655087
N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]thiohydroxylamine
CID 178047682
4-(3-ethyl-4-methylphenyl)-1-methylpiperidine
CID 142332393
[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 59473921
4-(2-ethylbutyl)-1-[2-[1-(3-ethyl-4-methylphenyl)piperidin-4-yl]ethyl]piperidine
CID 155583112
1-[3-(fluoromethyl)-4-methylphenyl]piperidine
CID 174505222
1-(2-ethyl-4-methylphenyl)-4-methylpiperazine
CID 70652133

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine (CID 142939329) is 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine is CCc1cc(N2CCN(C)CC2)ccc1C.
What is the InChIKey of 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine?
The InChIKey is MXSGRWKGFRILHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-13-11-14(6-5-12(13)2)16-9-7-15(3)8-10-16/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine?
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylphenyl)-4-methylpiperazine is sourced from PubChem (CID 142939329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).