diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol

C28H30F3NO2 — CID 44907112

IUPACdiphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C28H30F3NO2/c29-28(30,31)25-14-7-8-15-26(25)34-21-9-18-32-19-16-24(17-20-32)27(33,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,33H,9,16-21H2
InChIKeyGHHJZMGSUIFAAI-UHFFFAOYSA-N
MW469.55 g/mol
LogP6.12
Rot. Bonds8

About diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol

diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol (PubChem CID 44907112) has the molecular formula C28H30F3NO2 and a molecular weight of 469.55 g/mol. Its IUPAC name is diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Namediphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol
PubChem CID44907112
Molecular FormulaC28H30F3NO2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Namediphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C28H30F3NO2/c29-28(30,31)25-14-7-8-15-26(25)34-21-9-18-32-19-16-24(17-20-32)27(33,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,33H,9,16-21H2
InChIKeyGHHJZMGSUIFAAI-UHFFFAOYSA-N
XLogP6.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 56.12
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-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol?
The IUPAC name of diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol (CID 44907112) is diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol.
What is the SMILES notation for diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol?
The canonical SMILES for diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol?
The InChIKey is GHHJZMGSUIFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3NO2/c29-28(30,31)25-14-7-8-15-26(25)34-21-9-18-32-19-16-24(17-20-32)27(33,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24,33H,9,16-21H2.
What are the key properties of diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol?
diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol has a molecular weight of 469.55 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 44907112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).