2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone

C22H25NO — CID 11393016

IUPAC2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone
SMILESCN1C(CC(=O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C22H25NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-21H,8,13-14,17H2,1H3/b16-15+/t20-,21?/m1/s1
InChIKeyNAGZSFRTSYRZIC-MBVFEOPXSA-N
MW319.45 g/mol
LogP4.83
Rot. Bonds5

About 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone

2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone (PubChem CID 11393016) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone
PubChem CID11393016
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone
SMILESCN1C(CC(=O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C22H25NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-21H,8,13-14,17H2,1H3/b16-15+/t20-,21?/m1/s1
InChIKeyNAGZSFRTSYRZIC-MBVFEOPXSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone (CID 11393016) is 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone is CN1C(CC(=O)c2ccccc2)CCC[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone?
The InChIKey is NAGZSFRTSYRZIC-MBVFEOPXSA-N. The full InChI is InChI=1S/C22H25NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-21H,8,13-14,17H2,1H3/b16-15+/t20-,21?/m1/s1.
What are the key properties of 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone?
2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone has a molecular weight of 319.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone is sourced from PubChem (CID 11393016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).