[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol

C34H34F3NO — CID 18520141

IUPAC[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
SMILESOCC1(c2ccc(C(F)(F)F)cc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C34H34F3NO/c35-34(36,37)31-18-16-27(17-19-31)32(26-39)20-23-38(24-21-32)25-22-33(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,39H,20-26H2
InChIKeyVUHVKRZVXOIFGL-UHFFFAOYSA-N
MW529.65 g/mol
LogP7.46
Rot. Bonds8

About [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol

[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol (PubChem CID 18520141) has the molecular formula C34H34F3NO and a molecular weight of 529.65 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
PubChem CID18520141
Molecular FormulaC34H34F3NO
Molecular Weight529.65 g/mol
Exact Mass529.26
IUPAC Name[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
SMILESOCC1(c2ccc(C(F)(F)F)cc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C34H34F3NO/c35-34(36,37)31-18-16-27(17-19-31)32(26-39)20-23-38(24-21-32)25-22-33(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,39H,20-26H2
InChIKeyVUHVKRZVXOIFGL-UHFFFAOYSA-N
XLogP7.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

oxalic acid;[4-phenyl-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 70619039
azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
CID 173450342
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride
CID 70618841
2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride
CID 70618720
[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 83825688
4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
CID 71167298
3-chloro-1-phenyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 116696177
4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]-2-methylbutanoic acid
CID 87236679
4-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-4-phenylpiperidine-1-carboxylic acid
CID 22240549
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]acetic acid
CID 19960197

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol (CID 18520141) is [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol is OCC1(c2ccc(C(F)(F)F)cc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol?
The InChIKey is VUHVKRZVXOIFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F3NO/c35-34(36,37)31-18-16-27(17-19-31)32(26-39)20-23-38(24-21-32)25-22-33(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,39H,20-26H2.
What are the key properties of [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol?
[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol has a molecular weight of 529.65 g/mol, XLogP of 7.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 18520141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).