ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine

C22H37N3 — CID 177158844

IUPACethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine
SMILESCC.CC.Cc1ccc(N2CCN(C)CC2)cc1.Cc1cccnc1
InChIInChI=1S/C12H18N2.C6H7N.2C2H6/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-6-3-2-4-7-5-6;2*1-2/h3-6H,7-10H2,1-2H3;2-5H,1H3;2*1-2H3
InChIKeySLEQNHDNAUFHEU-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.19
Rot. Bonds1

About ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine

ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine (PubChem CID 177158844) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine.

Molecular Properties

Compound Nameethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine
PubChem CID177158844
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Nameethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine
SMILESCC.CC.Cc1ccc(N2CCN(C)CC2)cc1.Cc1cccnc1
InChIInChI=1S/C12H18N2.C6H7N.2C2H6/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-6-3-2-4-7-5-6;2*1-2/h3-6H,7-10H2,1-2H3;2-5H,1H3;2*1-2H3
InChIKeySLEQNHDNAUFHEU-UHFFFAOYSA-N
XLogP5.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
ethane;3-methylpyridine;hydroiodide
CID 143140941
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
acetamide;3-methylpyridine;1-methylpyrrolidine
CID 143564714
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
2-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine
CID 70794404
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine?
The IUPAC name of ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine (CID 177158844) is ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine.
What is the SMILES notation for ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine?
The canonical SMILES for ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine is CC.CC.Cc1ccc(N2CCN(C)CC2)cc1.Cc1cccnc1.
What is the InChIKey of ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine?
The InChIKey is SLEQNHDNAUFHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C6H7N.2C2H6/c1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-6-3-2-4-7-5-6;2*1-2/h3-6H,7-10H2,1-2H3;2-5H,1H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine?
ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine has a molecular weight of 343.56 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(4-methylphenyl)piperazine;3-methylpyridine is sourced from PubChem (CID 177158844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).