4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine

C29H33NO — CID 10431768

IUPAC4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine
SMILESC=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h2-16,25,29H,1,17-23H2
InChIKeyHWRVHTODBCXJNV-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.74
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine (PubChem CID 10431768) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine
PubChem CID10431768
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine
SMILESC=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H33NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h2-16,25,29H,1,17-23H2
InChIKeyHWRVHTODBCXJNV-UHFFFAOYSA-N
XLogP6.74
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 ≤ 56.74
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-[(4-ethenylphenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine (CID 10431768) is 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine is C=Cc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine?
The InChIKey is HWRVHTODBCXJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO/c1-2-24-13-15-26(16-14-24)23-30-20-17-25(18-21-30)19-22-31-29(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h2-16,25,29H,1,17-23H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(4-ethenylphenyl)methyl]piperidine has a molecular weight of 411.59 g/mol, XLogP of 6.74, 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-[(4-ethenylphenyl)methyl]piperidine is sourced from PubChem (CID 10431768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).