4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine

C28H33NO2 — CID 11026096

IUPAC4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C28H33NO2/c1-30-27-14-8-9-24(21-27)22-29-18-15-23(16-19-29)17-20-31-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21,23,28H,15-20,22H2,1H3
InChIKeyHZWWLKPTHNPSQB-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.10
Rot. Bonds9

About 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine (PubChem CID 11026096) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine
PubChem CID11026096
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C28H33NO2/c1-30-27-14-8-9-24(21-27)22-29-18-15-23(16-19-29)17-20-31-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21,23,28H,15-20,22H2,1H3
InChIKeyHZWWLKPTHNPSQB-UHFFFAOYSA-N
XLogP6.10
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine (CID 11026096) is 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine is COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
The InChIKey is HZWWLKPTHNPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-30-27-14-8-9-24(21-27)22-29-18-15-23(16-19-29)17-20-31-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,21,23,28H,15-20,22H2,1H3.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine has a molecular weight of 415.58 g/mol, XLogP of 6.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 11026096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).