4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine

C37H37NO — CID 11827342

IUPAC4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3ccc(-c4cccc5ccccc45)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C37H37NO/c1-3-11-33(12-4-1)37(34-13-5-2-6-14-34)39-27-24-29-22-25-38(26-23-29)28-30-18-20-32(21-19-30)36-17-9-15-31-10-7-8-16-35(31)36/h1-21,29,37H,22-28H2
InChIKeyGRVRNLKREJUWJW-UHFFFAOYSA-N
MW511.71 g/mol
LogP8.92
Rot. Bonds9

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

4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine (PubChem CID 11827342) has the molecular formula C37H37NO and a molecular weight of 511.71 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine
PubChem CID11827342
Molecular FormulaC37H37NO
Molecular Weight511.71 g/mol
Exact Mass511.29
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine
SMILESc1ccc(C(OCCC2CCN(Cc3ccc(-c4cccc5ccccc45)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C37H37NO/c1-3-11-33(12-4-1)37(34-13-5-2-6-14-34)39-27-24-29-22-25-38(26-23-29)28-30-18-20-32(21-19-30)36-17-9-15-31-10-7-8-16-35(31)36/h1-21,29,37H,22-28H2
InChIKeyGRVRNLKREJUWJW-UHFFFAOYSA-N
XLogP8.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.71
LogP ≤ 58.92
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-naphthalen-1-ylphenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine (CID 11827342) is 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine is c1ccc(C(OCCC2CCN(Cc3ccc(-c4cccc5ccccc45)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine?
The InChIKey is GRVRNLKREJUWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO/c1-3-11-33(12-4-1)37(34-13-5-2-6-14-34)39-27-24-29-22-25-38(26-23-29)28-30-18-20-32(21-19-30)36-17-9-15-31-10-7-8-16-35(31)36/h1-21,29,37H,22-28H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(4-naphthalen-1-ylphenyl)methyl]piperidine has a molecular weight of 511.71 g/mol, XLogP of 8.92, 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-naphthalen-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 11827342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).