4-methyl-1,2,6-triphenoxypiperidine

C24H25NO3 — CID 67275500

IUPAC4-methyl-1,2,6-triphenoxypiperidine
SMILESCC1CC(Oc2ccccc2)N(Oc2ccccc2)C(Oc2ccccc2)C1
InChIInChI=1S/C24H25NO3/c1-19-17-23(26-20-11-5-2-6-12-20)25(28-22-15-9-4-10-16-22)24(18-19)27-21-13-7-3-8-14-21/h2-16,19,23-24H,17-18H2,1H3
InChIKeyOEVWTAGRTUWKHZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.52
Rot. Bonds6

About 4-methyl-1,2,6-triphenoxypiperidine

4-methyl-1,2,6-triphenoxypiperidine (PubChem CID 67275500) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-methyl-1,2,6-triphenoxypiperidine.

Molecular Properties

Compound Name4-methyl-1,2,6-triphenoxypiperidine
PubChem CID67275500
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-methyl-1,2,6-triphenoxypiperidine
SMILESCC1CC(Oc2ccccc2)N(Oc2ccccc2)C(Oc2ccccc2)C1
InChIInChI=1S/C24H25NO3/c1-19-17-23(26-20-11-5-2-6-12-20)25(28-22-15-9-4-10-16-22)24(18-19)27-21-13-7-3-8-14-21/h2-16,19,23-24H,17-18H2,1H3
InChIKeyOEVWTAGRTUWKHZ-UHFFFAOYSA-N
XLogP5.52
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,6-triphenoxypiperidine?
The IUPAC name of 4-methyl-1,2,6-triphenoxypiperidine (CID 67275500) is 4-methyl-1,2,6-triphenoxypiperidine.
What is the SMILES notation for 4-methyl-1,2,6-triphenoxypiperidine?
The canonical SMILES for 4-methyl-1,2,6-triphenoxypiperidine is CC1CC(Oc2ccccc2)N(Oc2ccccc2)C(Oc2ccccc2)C1.
What is the InChIKey of 4-methyl-1,2,6-triphenoxypiperidine?
The InChIKey is OEVWTAGRTUWKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-19-17-23(26-20-11-5-2-6-12-20)25(28-22-15-9-4-10-16-22)24(18-19)27-21-13-7-3-8-14-21/h2-16,19,23-24H,17-18H2,1H3.
What are the key properties of 4-methyl-1,2,6-triphenoxypiperidine?
4-methyl-1,2,6-triphenoxypiperidine has a molecular weight of 375.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,6-triphenoxypiperidine is sourced from PubChem (CID 67275500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).