2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine

C16H23NO — CID 116685923

IUPAC2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine
SMILESCCOc1ccc(/C=C/C2CCCC(C)N2)cc1
InChIInChI=1S/C16H23NO/c1-3-18-16-11-8-14(9-12-16)7-10-15-6-4-5-13(2)17-15/h7-13,15,17H,3-6H2,1-2H3/b10-7+
InChIKeyQCQPXEOHLITWNJ-JXMROGBWSA-N
MW245.37 g/mol
LogP3.63
Rot. Bonds4

About 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine

2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine (PubChem CID 116685923) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine
PubChem CID116685923
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine
SMILESCCOc1ccc(/C=C/C2CCCC(C)N2)cc1
InChIInChI=1S/C16H23NO/c1-3-18-16-11-8-14(9-12-16)7-10-15-6-4-5-13(2)17-15/h7-13,15,17H,3-6H2,1-2H3/b10-7+
InChIKeyQCQPXEOHLITWNJ-JXMROGBWSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethenyl]-6-methylpiperidine
CID 116685982
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
(E)-3-(4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 42905212
(2R,6S)-2-methyl-6-[(E)-prop-1-enyl]piperidine
CID 101274474
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]aniline
CID 122211085
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855539
(E)-3-(4-ethoxyphenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115746610
2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-6-methylpiperidine
CID 116685928
3-(4-ethoxyphenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 79029011

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine?
The IUPAC name of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine (CID 116685923) is 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine.
What is the SMILES notation for 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine?
The canonical SMILES for 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine is CCOc1ccc(/C=C/C2CCCC(C)N2)cc1.
What is the InChIKey of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine?
The InChIKey is QCQPXEOHLITWNJ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-18-16-11-8-14(9-12-16)7-10-15-6-4-5-13(2)17-15/h7-13,15,17H,3-6H2,1-2H3/b10-7+.
What are the key properties of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine?
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine has a molecular weight of 245.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-6-methylpiperidine is sourced from PubChem (CID 116685923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).