2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol

C24H25F2N3O2 — CID 66962343

IUPAC2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol
SMILESCOc1cccc(C(N2CCCC(F)(F)C2)C(O)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H25F2N3O2/c1-31-21-9-2-6-18(14-21)22(29-13-5-10-23(25,26)17-29)24(30,19-7-3-11-27-15-19)20-8-4-12-28-16-20/h2-4,6-9,11-12,14-16,22,30H,5,10,13,17H2,1H3
InChIKeyMXYYPWHQCYLXKK-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.19
Rot. Bonds6

About 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol

2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol (PubChem CID 66962343) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol
PubChem CID66962343
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol
SMILESCOc1cccc(C(N2CCCC(F)(F)C2)C(O)(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C24H25F2N3O2/c1-31-21-9-2-6-18(14-21)22(29-13-5-10-23(25,26)17-29)24(30,19-7-3-11-27-15-19)20-8-4-12-28-16-20/h2-4,6-9,11-12,14-16,22,30H,5,10,13,17H2,1H3
InChIKeyMXYYPWHQCYLXKK-UHFFFAOYSA-N
XLogP4.19
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol 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

(3R)-1-[2-fluoro-1-(3-methoxyphenyl)-2,2-dipyridin-3-ylethyl]pyrrolidin-3-ol
CID 57425757
2-(4-tert-butylphenyl)-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
CID 66961853
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044
4-(2-hydroxy-2,2-dipyridin-3-yl-1-pyrrolidin-1-ylethyl)-N,N-dimethylbenzamide
CID 66962391
(1S,2R)-1-(3-methoxyphenyl)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 102167719
1,1-dipyridin-3-yl-2-pyrrolidin-1-yl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 66962964
2-(4-fluorophenyl)-2-(3-methylsulfanylazetidin-1-yl)-1,1-dipyridin-3-ylethanol
CID 66962922
[1-[1-(3-methoxyphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 19979366
(2S)-N-[(S)-(3-methoxyphenyl)-pyridin-3-ylmethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 97213232
2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349906
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3776239
3-fluoro-1-propan-2-ylpiperidine;methane;1-methoxy-3-propan-2-ylbenzene;yttrium
CID 160675025

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol (CID 66962343) is 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol is COc1cccc(C(N2CCCC(F)(F)C2)C(O)(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol?
The InChIKey is MXYYPWHQCYLXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c1-31-21-9-2-6-18(14-21)22(29-13-5-10-23(25,26)17-29)24(30,19-7-3-11-27-15-19)20-8-4-12-28-16-20/h2-4,6-9,11-12,14-16,22,30H,5,10,13,17H2,1H3.
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol?
2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol has a molecular weight of 425.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)-2-(3-methoxyphenyl)-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 66962343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).