1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol

C26H29NO3 — CID 6918490

IUPAC1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2
InChIKeyFXLWBYZTEVJBSX-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.10
Rot. Bonds8

About 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol

1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol (PubChem CID 6918490) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol
PubChem CID6918490
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2
InChIKeyFXLWBYZTEVJBSX-UHFFFAOYSA-N
XLogP5.10
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol (CID 6918490) is 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol is OC(COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol?
The InChIKey is FXLWBYZTEVJBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25/h1-14,22-23,28H,15-20H2.
What are the key properties of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol?
1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol has a molecular weight of 403.52 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 6918490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).