3-(2,6-dimethylphenyl)piperidine;ethane

C17H31N — CID 143178371

IUPAC3-(2,6-dimethylphenyl)piperidine;ethane
SMILESCC.CC.Cc1cccc(C)c1C1CCCNC1
InChIInChI=1S/C13H19N.2C2H6/c1-10-5-3-6-11(2)13(10)12-7-4-8-14-9-12;2*1-2/h3,5-6,12,14H,4,7-9H2,1-2H3;2*1-2H3
InChIKeyWJDQWAYHUYIOHW-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.82
Rot. Bonds1

About 3-(2,6-dimethylphenyl)piperidine;ethane

3-(2,6-dimethylphenyl)piperidine;ethane (PubChem CID 143178371) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)piperidine;ethane.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)piperidine;ethane
PubChem CID143178371
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-(2,6-dimethylphenyl)piperidine;ethane
SMILESCC.CC.Cc1cccc(C)c1C1CCCNC1
InChIInChI=1S/C13H19N.2C2H6/c1-10-5-3-6-11(2)13(10)12-7-4-8-14-9-12;2*1-2/h3,5-6,12,14H,4,7-9H2,1-2H3;2*1-2H3
InChIKeyWJDQWAYHUYIOHW-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-(3-methyl-2-phenylphenyl)piperidine
CID 143194831
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
3-(2,4-dimethylphenyl)piperidine
CID 10535662
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
3,8-dimethyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115037396
4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053
3-chloro-5-methyl-4-piperidin-3-ylbenzene-1,2-diol
CID 117356245
3-(2-chloro-4,6-dimethylphenyl)piperidine
CID 84789545

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)piperidine;ethane?
The IUPAC name of 3-(2,6-dimethylphenyl)piperidine;ethane (CID 143178371) is 3-(2,6-dimethylphenyl)piperidine;ethane.
What is the SMILES notation for 3-(2,6-dimethylphenyl)piperidine;ethane?
The canonical SMILES for 3-(2,6-dimethylphenyl)piperidine;ethane is CC.CC.Cc1cccc(C)c1C1CCCNC1.
What is the InChIKey of 3-(2,6-dimethylphenyl)piperidine;ethane?
The InChIKey is WJDQWAYHUYIOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.2C2H6/c1-10-5-3-6-11(2)13(10)12-7-4-8-14-9-12;2*1-2/h3,5-6,12,14H,4,7-9H2,1-2H3;2*1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)piperidine;ethane?
3-(2,6-dimethylphenyl)piperidine;ethane has a molecular weight of 249.44 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)piperidine;ethane is sourced from PubChem (CID 143178371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).