1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine

C26H29NO3 — CID 23133870

IUPAC1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine
SMILESCOc1cccc(C2(COc3ccccc3)CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C26H29NO3/c1-28-23-12-8-9-21(19-23)26(20-30-22-10-4-3-5-11-22)15-17-27(18-16-26)24-13-6-7-14-25(24)29-2/h3-14,19H,15-18,20H2,1-2H3
InChIKeyQIDGZAXTUNBXLU-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.32
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine

1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine (PubChem CID 23133870) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine
PubChem CID23133870
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine
SMILESCOc1cccc(C2(COc3ccccc3)CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C26H29NO3/c1-28-23-12-8-9-21(19-23)26(20-30-22-10-4-3-5-11-22)15-17-27(18-16-26)24-13-6-7-14-25(24)29-2/h3-14,19H,15-18,20H2,1-2H3
InChIKeyQIDGZAXTUNBXLU-UHFFFAOYSA-N
XLogP5.32
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine (CID 23133870) is 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine is COc1cccc(C2(COc3ccccc3)CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine?
The InChIKey is QIDGZAXTUNBXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-28-23-12-8-9-21(19-23)26(20-30-22-10-4-3-5-11-22)15-17-27(18-16-26)24-13-6-7-14-25(24)29-2/h3-14,19H,15-18,20H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine?
1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine has a molecular weight of 403.52 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-(phenoxymethyl)piperidine is sourced from PubChem (CID 23133870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).