(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine

C21H23N — CID 69201329

IUPAC(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
SMILESC(=C[C@@H]1CCC[C@H](/C=C/c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C21H23N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-6,8-11,14-17,20-22H,7,12-13H2/b16-14+,17-15?/t20-,21+/m1/s1
InChIKeyKKRDSQWCVVJEHB-CNXMJYLESA-N
MW289.42 g/mol
LogP4.92
Rot. Bonds4

About (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine

(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine (PubChem CID 69201329) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine.

Molecular Properties

Compound Name(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
PubChem CID69201329
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
SMILESC(=C[C@@H]1CCC[C@H](/C=C/c2ccccc2)N1)c1ccccc1
InChIInChI=1S/C21H23N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-6,8-11,14-17,20-22H,7,12-13H2/b16-14+,17-15?/t20-,21+/m1/s1
InChIKeyKKRDSQWCVVJEHB-CNXMJYLESA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine?
The IUPAC name of (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine (CID 69201329) is (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine.
What is the SMILES notation for (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine?
The canonical SMILES for (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine is C(=C[C@@H]1CCC[C@H](/C=C/c2ccccc2)N1)c1ccccc1.
What is the InChIKey of (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine?
The InChIKey is KKRDSQWCVVJEHB-CNXMJYLESA-N. The full InChI is InChI=1S/C21H23N/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(22-20)17-15-19-10-5-2-6-11-19/h1-6,8-11,14-17,20-22H,7,12-13H2/b16-14+,17-15?/t20-,21+/m1/s1.
What are the key properties of (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine?
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine has a molecular weight of 289.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine is sourced from PubChem (CID 69201329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).