diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol

C33H35NO2 — CID 77460996

IUPACdiphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H35NO2/c35-33(29-13-6-2-7-14-29,30-15-8-3-9-16-30)31-21-24-34(25-22-31)23-10-26-36-32-19-17-28(18-20-32)27-11-4-1-5-12-27/h1-9,11-20,31,35H,10,21-26H2
InChIKeyHMGTWSUSNAFUEV-UHFFFAOYSA-N
MW477.65 g/mol
LogP6.77
Rot. Bonds9

About diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol

diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol (PubChem CID 77460996) has the molecular formula C33H35NO2 and a molecular weight of 477.65 g/mol. Its IUPAC name is diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namediphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol
PubChem CID77460996
Molecular FormulaC33H35NO2
Molecular Weight477.65 g/mol
Exact Mass477.27
IUPAC Namediphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H35NO2/c35-33(29-13-6-2-7-14-29,30-15-8-3-9-16-30)31-21-24-34(25-22-31)23-10-26-36-32-19-17-28(18-20-32)27-11-4-1-5-12-27/h1-9,11-20,31,35H,10,21-26H2
InChIKeyHMGTWSUSNAFUEV-UHFFFAOYSA-N
XLogP6.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol?
The IUPAC name of diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol (CID 77460996) is diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol.
What is the SMILES notation for diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol?
The canonical SMILES for diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol?
The InChIKey is HMGTWSUSNAFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO2/c35-33(29-13-6-2-7-14-29,30-15-8-3-9-16-30)31-21-24-34(25-22-31)23-10-26-36-32-19-17-28(18-20-32)27-11-4-1-5-12-27/h1-9,11-20,31,35H,10,21-26H2.
What are the key properties of diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol?
diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol has a molecular weight of 477.65 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[3-(4-phenylphenoxy)propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 77460996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).