4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine

C31H39NO3 — CID 11798707

IUPAC4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
SMILESCOc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H39NO3/c1-33-29-14-10-27(11-15-29)31(28-12-16-30(34-2)17-13-28)35-24-20-26-18-22-32(23-19-26)21-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,26,31H,6,9,18-24H2,1-2H3
InChIKeyXBRQVZPDETWVCL-UHFFFAOYSA-N
MW473.66 g/mol
LogP6.54
Rot. Bonds12

About 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine

4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine (PubChem CID 11798707) has the molecular formula C31H39NO3 and a molecular weight of 473.66 g/mol. Its IUPAC name is 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
PubChem CID11798707
Molecular FormulaC31H39NO3
Molecular Weight473.66 g/mol
Exact Mass473.29
IUPAC Name4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
SMILESCOc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H39NO3/c1-33-29-14-10-27(11-15-29)31(28-12-16-30(34-2)17-13-28)35-24-20-26-18-22-32(23-19-26)21-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,26,31H,6,9,18-24H2,1-2H3
InChIKeyXBRQVZPDETWVCL-UHFFFAOYSA-N
XLogP6.54
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine (CID 11798707) is 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine is COc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The InChIKey is XBRQVZPDETWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO3/c1-33-29-14-10-27(11-15-29)31(28-12-16-30(34-2)17-13-28)35-24-20-26-18-22-32(23-19-26)21-6-9-25-7-4-3-5-8-25/h3-5,7-8,10-17,26,31H,6,9,18-24H2,1-2H3.
What are the key properties of 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine?
4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine has a molecular weight of 473.66 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 11798707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).