3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine

C20H25FN2O3 — CID 77093463

IUPAC3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESCOc1cc(F)c(CN2CCCC(OCc3cccnc3)C2)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-24-19-9-16(18(21)10-20(19)25-2)12-23-8-4-6-17(13-23)26-14-15-5-3-7-22-11-15/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3
InChIKeyDHXPNRXAJFZIDR-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.42
Rot. Bonds7

About 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine

3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 77093463) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID77093463
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESCOc1cc(F)c(CN2CCCC(OCc3cccnc3)C2)cc1OC
InChIInChI=1S/C20H25FN2O3/c1-24-19-9-16(18(21)10-20(19)25-2)12-23-8-4-6-17(13-23)26-14-15-5-3-7-22-11-15/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3
InChIKeyDHXPNRXAJFZIDR-UHFFFAOYSA-N
XLogP3.42
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
3-(1,3-benzodioxol-5-yl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42241704
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
4-chloro-N,N-dimethyl-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95718512

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine (CID 77093463) is 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine is COc1cc(F)c(CN2CCCC(OCc3cccnc3)C2)cc1OC.
What is the InChIKey of 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is DHXPNRXAJFZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-24-19-9-16(18(21)10-20(19)25-2)12-23-8-4-6-17(13-23)26-14-15-5-3-7-22-11-15/h3,5,7,9-11,17H,4,6,8,12-14H2,1-2H3.
What are the key properties of 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine?
3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 360.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 77093463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).