4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine

C30H37NO — CID 10622414

IUPAC4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine
SMILESCc1ccc(C(OCCC2CCN(CCc3ccccc3)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H37NO/c1-24-8-12-28(13-9-24)30(29-14-10-25(2)11-15-29)32-23-19-27-17-21-31(22-18-27)20-16-26-6-4-3-5-7-26/h3-15,27,30H,16-23H2,1-2H3
InChIKeyKOUHIYDEROTWGL-UHFFFAOYSA-N
MW427.63 g/mol
LogP6.75
Rot. Bonds9

About 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine

4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine (PubChem CID 10622414) has the molecular formula C30H37NO and a molecular weight of 427.63 g/mol. Its IUPAC name is 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine
PubChem CID10622414
Molecular FormulaC30H37NO
Molecular Weight427.63 g/mol
Exact Mass427.29
IUPAC Name4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine
SMILESCc1ccc(C(OCCC2CCN(CCc3ccccc3)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H37NO/c1-24-8-12-28(13-9-24)30(29-14-10-25(2)11-15-29)32-23-19-27-17-21-31(22-18-27)20-16-26-6-4-3-5-7-26/h3-15,27,30H,16-23H2,1-2H3
InChIKeyKOUHIYDEROTWGL-UHFFFAOYSA-N
XLogP6.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine (CID 10622414) is 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine is Cc1ccc(C(OCCC2CCN(CCc3ccccc3)CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine?
The InChIKey is KOUHIYDEROTWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO/c1-24-8-12-28(13-9-24)30(29-14-10-25(2)11-15-29)32-23-19-27-17-21-31(22-18-27)20-16-26-6-4-3-5-7-26/h3-15,27,30H,16-23H2,1-2H3.
What are the key properties of 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine?
4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine has a molecular weight of 427.63 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-methylphenyl)methoxy]ethyl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10622414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).