2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine

C15H21N — CID 45097432

IUPAC2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
SMILESCc1cccc(C)c1/C=C/C1CCCCN1
InChIInChI=1S/C15H21N/c1-12-6-5-7-13(2)15(12)10-9-14-8-3-4-11-16-14/h5-7,9-10,14,16H,3-4,8,11H2,1-2H3/b10-9+
InChIKeyJACCUXPTLOEBMW-MDZDMXLPSA-N
MW215.34 g/mol
LogP3.46
Rot. Bonds2

About 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine

2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine (PubChem CID 45097432) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine.

Molecular Properties

Compound Name2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
PubChem CID45097432
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
SMILESCc1cccc(C)c1/C=C/C1CCCCN1
InChIInChI=1S/C15H21N/c1-12-6-5-7-13(2)15(12)10-9-14-8-3-4-11-16-14/h5-7,9-10,14,16H,3-4,8,11H2,1-2H3/b10-9+
InChIKeyJACCUXPTLOEBMW-MDZDMXLPSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[2-[2-nitro-6-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 141463107
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine?
The IUPAC name of 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine (CID 45097432) is 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine.
What is the SMILES notation for 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine?
The canonical SMILES for 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine is Cc1cccc(C)c1/C=C/C1CCCCN1.
What is the InChIKey of 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine?
The InChIKey is JACCUXPTLOEBMW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H21N/c1-12-6-5-7-13(2)15(12)10-9-14-8-3-4-11-16-14/h5-7,9-10,14,16H,3-4,8,11H2,1-2H3/b10-9+.
What are the key properties of 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine?
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine has a molecular weight of 215.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine is sourced from PubChem (CID 45097432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).