2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine

C19H23F2N3O3 — CID 153376674

IUPAC2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine
SMILESCOc1ccc(C(C)N2CCC(Oc3ncc(F)cc3F)CC2)nc1OC
InChIInChI=1S/C19H23F2N3O3/c1-12(16-4-5-17(25-2)19(23-16)26-3)24-8-6-14(7-9-24)27-18-15(21)10-13(20)11-22-18/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyKCIZZZMDRRXITK-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.38
Rot. Bonds6

About 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine

2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine (PubChem CID 153376674) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine.

Molecular Properties

Compound Name2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine
PubChem CID153376674
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine
SMILESCOc1ccc(C(C)N2CCC(Oc3ncc(F)cc3F)CC2)nc1OC
InChIInChI=1S/C19H23F2N3O3/c1-12(16-4-5-17(25-2)19(23-16)26-3)24-8-6-14(7-9-24)27-18-15(21)10-13(20)11-22-18/h4-5,10-12,14H,6-9H2,1-3H3
InChIKeyKCIZZZMDRRXITK-UHFFFAOYSA-N
XLogP3.38
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine 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-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
Caerulomycin C
CID 135503530
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-2-ylmethyl]morpholine
CID 44578925
(2S)-2-[(S)-(2,6-difluorophenoxy)-pyridin-2-ylmethyl]morpholine
CID 44578972
(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137652873
4-Fluoro-2-[5-[(3-isothiocyanatocyclobutyl)oxymethyl]-2-pyridinyl]-5-methoxypyridine
CID 164622080
N-[(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 153275647
2-[(2-Methyl-3-pyridinyl)oxy]-3-(1-propan-2-ylpiperidin-4-yl)pyrazine
CID 95843329
(4aS,7R,7aR)-4-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365679
(3R,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97388355
7-(Pyridin-2-ylmethyl)-2-pyridin-3-yloxy-7-azaspiro[3.5]nonane
CID 97451291

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine?
The IUPAC name of 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine (CID 153376674) is 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine.
What is the SMILES notation for 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine?
The canonical SMILES for 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine is COc1ccc(C(C)N2CCC(Oc3ncc(F)cc3F)CC2)nc1OC.
What is the InChIKey of 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine?
The InChIKey is KCIZZZMDRRXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-12(16-4-5-17(25-2)19(23-16)26-3)24-8-6-14(7-9-24)27-18-15(21)10-13(20)11-22-18/h4-5,10-12,14H,6-9H2,1-3H3.
What are the key properties of 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine?
2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine has a molecular weight of 379.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5,6-dimethoxy-2-pyridinyl)ethyl]piperidin-4-yl]oxy-3,5-difluoropyridine is sourced from PubChem (CID 153376674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).