(2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine

C22H27N — CID 11312786

IUPAC(2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine
SMILESCN1[C@H](CCc2ccccc2)CCC[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C22H27N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15,17,21-22H,8,13-14,16,18H2,1H3/b17-15+/t21-,22+/m1/s1
InChIKeyIAZJJYHHFHZOIL-VCYPYNMISA-N
MW305.47 g/mol
LogP5.19
Rot. Bonds5

About (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine

(2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine (PubChem CID 11312786) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine
PubChem CID11312786
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name(2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine
SMILESCN1[C@H](CCc2ccccc2)CCC[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C22H27N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15,17,21-22H,8,13-14,16,18H2,1H3/b17-15+/t21-,22+/m1/s1
InChIKeyIAZJJYHHFHZOIL-VCYPYNMISA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine?
The IUPAC name of (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine (CID 11312786) is (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine.
What is the SMILES notation for (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine?
The canonical SMILES for (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine is CN1[C@H](CCc2ccccc2)CCC[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine?
The InChIKey is IAZJJYHHFHZOIL-VCYPYNMISA-N. The full InChI is InChI=1S/C22H27N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15,17,21-22H,8,13-14,16,18H2,1H3/b17-15+/t21-,22+/m1/s1.
What are the key properties of (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine?
(2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine has a molecular weight of 305.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-methyl-2-[(E)-2-phenylethenyl]-6-(2-phenylethyl)piperidine is sourced from PubChem (CID 11312786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).