4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane

C22H29N — CID 143194772

IUPAC4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane
SMILESC(=C/C1CCNCC1)\c1ccc(Cc2ccccc2)cc1.CC
InChIInChI=1S/C20H23N.C2H6/c1-2-4-19(5-3-1)16-20-10-8-17(9-11-20)6-7-18-12-14-21-15-13-18;1-2/h1-11,18,21H,12-16H2;1-2H3/b7-6+;
InChIKeyMGYSVPORZXWSSZ-UHDJGPCESA-N
MW307.48 g/mol
LogP5.32
Rot. Bonds4

About 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane

4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane (PubChem CID 143194772) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane.

Molecular Properties

Compound Name4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane
PubChem CID143194772
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane
SMILESC(=C/C1CCNCC1)\c1ccc(Cc2ccccc2)cc1.CC
InChIInChI=1S/C20H23N.C2H6/c1-2-4-19(5-3-1)16-20-10-8-17(9-11-20)6-7-18-12-14-21-15-13-18;1-2/h1-11,18,21H,12-16H2;1-2H3/b7-6+;
InChIKeyMGYSVPORZXWSSZ-UHDJGPCESA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane?
The IUPAC name of 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane (CID 143194772) is 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane.
What is the SMILES notation for 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane?
The canonical SMILES for 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane is C(=C/C1CCNCC1)\c1ccc(Cc2ccccc2)cc1.CC.
What is the InChIKey of 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane?
The InChIKey is MGYSVPORZXWSSZ-UHDJGPCESA-N. The full InChI is InChI=1S/C20H23N.C2H6/c1-2-4-19(5-3-1)16-20-10-8-17(9-11-20)6-7-18-12-14-21-15-13-18;1-2/h1-11,18,21H,12-16H2;1-2H3/b7-6+;.
What are the key properties of 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane?
4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane has a molecular weight of 307.48 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-benzylphenyl)ethenyl]piperidine;ethane is sourced from PubChem (CID 143194772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).