3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol

C24H31F2NO2 — CID 22413649

IUPAC3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol
SMILESCC(O)C(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(O)N1CCCCC1
InChIInChI=1S/C24H31F2NO2/c1-17(28)23(24(2,29)27-14-4-3-5-15-27)16-22(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,17,22-23,28-29H,3-5,14-16H2,1-2H3
InChIKeyBCIXMTQCXSPGQT-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.68
Rot. Bonds7

About 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol

3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol (PubChem CID 22413649) has the molecular formula C24H31F2NO2 and a molecular weight of 403.51 g/mol. Its IUPAC name is 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol.

Molecular Properties

Compound Name3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol
PubChem CID22413649
Molecular FormulaC24H31F2NO2
Molecular Weight403.51 g/mol
Exact Mass403.23
IUPAC Name3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol
SMILESCC(O)C(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(O)N1CCCCC1
InChIInChI=1S/C24H31F2NO2/c1-17(28)23(24(2,29)27-14-4-3-5-15-27)16-22(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,17,22-23,28-29H,3-5,14-16H2,1-2H3
InChIKeyBCIXMTQCXSPGQT-UHFFFAOYSA-N
XLogP4.68
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol 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

(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
(-)-trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
CID 2734218
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
Lobelanidine
CID 442646
Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
CID 10176880
(+/-)-threo-N-(4-Phenylbutyl)ritalinol
CID 52941366
(+/-)-threo-N-(3-Phenylpropyl)ritalinol
CID 52945256
(1S)-2-[(2R,6R)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
CID 6604328
1-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10381919
(4-Fluoro-phenyl)-[1-(4-phenyl-butyl)-piperidin-4-yl]-methanol
CID 15212884

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
The IUPAC name of 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol (CID 22413649) is 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol.
What is the SMILES notation for 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
The canonical SMILES for 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol is CC(O)C(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(C)(O)N1CCCCC1.
What is the InChIKey of 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
The InChIKey is BCIXMTQCXSPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2NO2/c1-17(28)23(24(2,29)27-14-4-3-5-15-27)16-22(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,17,22-23,28-29H,3-5,14-16H2,1-2H3.
What are the key properties of 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol has a molecular weight of 403.51 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol is sourced from PubChem (CID 22413649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).