[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol

C26H30N2O — CID 118322617

IUPAC[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESNc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O/c27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,29H,15-20,27H2
InChIKeyWROUJZKUNBYJCS-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.46
Rot. Bonds6

About [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 118322617) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID118322617
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESNc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O/c27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,29H,15-20,27H2
InChIKeyWROUJZKUNBYJCS-UHFFFAOYSA-N
XLogP4.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-[2-(4-aminophenyl)ethyl]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-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 118322617) is [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol is Nc1ccc(CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is WROUJZKUNBYJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c27-25-13-11-21(12-14-25)15-18-28-19-16-24(17-20-28)26(29,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,24,29H,15-20,27H2.
What are the key properties of [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 386.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 118322617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).