4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride

C33H35ClFNO — CID 67462249

IUPAC4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride
SMILESCl.FC1(CCC(c2ccccc2)(c2ccccc2)c2cccc(OCc3ccccc3)c2)CCNCC1
InChIInChI=1S/C33H34FNO.ClH/c34-32(21-23-35-24-22-32)19-20-33(28-13-6-2-7-14-28,29-15-8-3-9-16-29)30-17-10-18-31(25-30)36-26-27-11-4-1-5-12-27;/h1-18,25,35H,19-24,26H2;1H
InChIKeyPJRMNCMBDJZMCM-UHFFFAOYSA-N
MW516.10 g/mol
LogP7.89
Rot. Bonds9

About 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride

4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride (PubChem CID 67462249) has the molecular formula C33H35ClFNO and a molecular weight of 516.10 g/mol. Its IUPAC name is 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride.

Molecular Properties

Compound Name4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride
PubChem CID67462249
Molecular FormulaC33H35ClFNO
Molecular Weight516.10 g/mol
Exact Mass515.24
IUPAC Name4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride
SMILESCl.FC1(CCC(c2ccccc2)(c2ccccc2)c2cccc(OCc3ccccc3)c2)CCNCC1
InChIInChI=1S/C33H34FNO.ClH/c34-32(21-23-35-24-22-32)19-20-33(28-13-6-2-7-14-28,29-15-8-3-9-16-29)30-17-10-18-31(25-30)36-26-27-11-4-1-5-12-27;/h1-18,25,35H,19-24,26H2;1H
InChIKeyPJRMNCMBDJZMCM-UHFFFAOYSA-N
XLogP7.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.10
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride 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

2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-phenylmethoxy-2-pyridinyl)methanamine
CID 141082230
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281175
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171211275
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
(2S)-2-(3-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171193942

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride?
The IUPAC name of 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride (CID 67462249) is 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride.
What is the SMILES notation for 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride?
The canonical SMILES for 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride is Cl.FC1(CCC(c2ccccc2)(c2ccccc2)c2cccc(OCc3ccccc3)c2)CCNCC1.
What is the InChIKey of 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride?
The InChIKey is PJRMNCMBDJZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FNO.ClH/c34-32(21-23-35-24-22-32)19-20-33(28-13-6-2-7-14-28,29-15-8-3-9-16-29)30-17-10-18-31(25-30)36-26-27-11-4-1-5-12-27;/h1-18,25,35H,19-24,26H2;1H.
What are the key properties of 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride?
4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride has a molecular weight of 516.10 g/mol, XLogP of 7.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-diphenyl-3-(3-phenylmethoxyphenyl)propyl]-4-fluoropiperidine;hydrochloride is sourced from PubChem (CID 67462249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).