4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine

C29H33NO — CID 11795913

IUPAC4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
SMILESC(=C/c1ccccc1)\CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-17,26,29H,18-24H2/b13-10+
InChIKeyDIPLLXKFFHRZGI-JLHYYAGUSA-N
MW411.59 g/mol
LogP6.61
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine (PubChem CID 11795913) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
PubChem CID11795913
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
SMILESC(=C/c1ccccc1)\CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-17,26,29H,18-24H2/b13-10+
InChIKeyDIPLLXKFFHRZGI-JLHYYAGUSA-N
XLogP6.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine (CID 11795913) is 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine is C(=C/c1ccccc1)\CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
The InChIKey is DIPLLXKFFHRZGI-JLHYYAGUSA-N. The full InChI is InChI=1S/C29H33NO/c1-4-11-25(12-5-1)13-10-21-30-22-18-26(19-23-30)20-24-31-29(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-17,26,29H,18-24H2/b13-10+.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine has a molecular weight of 411.59 g/mol, XLogP of 6.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine is sourced from PubChem (CID 11795913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).