[1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol

C27H31NO2 — CID 23036271

IUPAC[1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C27H31NO2/c29-27(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-17-20-28(21-18-25)19-10-22-30-26-15-8-3-9-16-26/h1-9,11-16,25,29H,10,17-22H2
InChIKeyCDZBEJLJZGBKFJ-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.10
Rot. Bonds8

About [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol

[1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol (PubChem CID 23036271) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol
PubChem CID23036271
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name[1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C27H31NO2/c29-27(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-17-20-28(21-18-25)19-10-22-30-26-15-8-3-9-16-26/h1-9,11-16,25,29H,10,17-22H2
InChIKeyCDZBEJLJZGBKFJ-UHFFFAOYSA-N
XLogP5.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol (CID 23036271) is [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol?
The InChIKey is CDZBEJLJZGBKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c29-27(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-17-20-28(21-18-25)19-10-22-30-26-15-8-3-9-16-26/h1-9,11-16,25,29H,10,17-22H2.
What are the key properties of [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol?
[1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol has a molecular weight of 401.55 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenoxypropyl)piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 23036271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).