2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane

C17H32N2 — CID 142385882

IUPAC2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane
SMILESCC.CC.Cc1ccc(N2C(C)CNCC2C)cc1
InChIInChI=1S/C13H20N2.2C2H6/c1-10-4-6-13(7-5-10)15-11(2)8-14-9-12(15)3;2*1-2/h4-7,11-12,14H,8-9H2,1-3H3;2*1-2H3
InChIKeyNUYYTBJQVLOBQW-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.23
Rot. Bonds1

About 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane

2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane (PubChem CID 142385882) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane.

Molecular Properties

Compound Name2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane
PubChem CID142385882
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane
SMILESCC.CC.Cc1ccc(N2C(C)CNCC2C)cc1
InChIInChI=1S/C13H20N2.2C2H6/c1-10-4-6-13(7-5-10)15-11(2)8-14-9-12(15)3;2*1-2/h4-7,11-12,14H,8-9H2,1-3H3;2*1-2H3
InChIKeyNUYYTBJQVLOBQW-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine
CID 7148191
(2R,5S)-2,5-dimethyl-1-(4-methylphenyl)pyrrolidine
CID 7021948
(3aS)-5-(4-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175383255
2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine
CID 21273052
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881
(5S)-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
CID 170628875
(1R)-6-(4-methylphenyl)-3,6-diazabicyclo[3.2.0]heptane
CID 135297088
tert-butyl (3S,5R)-3,5-dimethyl-4-(4-methylphenyl)piperazine-1-carboxylate
CID 175627860
2-chloro-4-[(2S,6R)-2,6-dimethylpiperazin-1-yl]benzoic acid
CID 99909309
(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)piperazine
CID 95438756
(2S,6S)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079396
(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079394

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane?
The IUPAC name of 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane (CID 142385882) is 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane.
What is the SMILES notation for 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane?
The canonical SMILES for 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane is CC.CC.Cc1ccc(N2C(C)CNCC2C)cc1.
What is the InChIKey of 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane?
The InChIKey is NUYYTBJQVLOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2C2H6/c1-10-4-6-13(7-5-10)15-11(2)8-14-9-12(15)3;2*1-2/h4-7,11-12,14H,8-9H2,1-3H3;2*1-2H3.
What are the key properties of 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane?
2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane has a molecular weight of 264.46 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane is sourced from PubChem (CID 142385882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).