3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine

C19H22F2N2O2 — CID 56886815

IUPAC3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESFC(F)Oc1cccc(CN2CCC(OCc3cccnc3)CC2)c1
InChIInChI=1S/C19H22F2N2O2/c20-19(21)25-18-5-1-3-15(11-18)13-23-9-6-17(7-10-23)24-14-16-4-2-8-22-12-16/h1-5,8,11-12,17,19H,6-7,9-10,13-14H2
InChIKeyJPBNFTVBDWYKMZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.86
Rot. Bonds7

About 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 56886815) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID56886815
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
SMILESFC(F)Oc1cccc(CN2CCC(OCc3cccnc3)CC2)c1
InChIInChI=1S/C19H22F2N2O2/c20-19(21)25-18-5-1-3-15(11-18)13-23-9-6-17(7-10-23)24-14-16-4-2-8-22-12-16/h1-5,8,11-12,17,19H,6-7,9-10,13-14H2
InChIKeyJPBNFTVBDWYKMZ-UHFFFAOYSA-N
XLogP3.86
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 131932704
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
2-[(3-methoxyphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 131677497
(3R)-8-[(3-fluorophenyl)methyl]-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418992
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 56905474
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine (CID 56886815) is 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine is FC(F)Oc1cccc(CN2CCC(OCc3cccnc3)CC2)c1.
What is the InChIKey of 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is JPBNFTVBDWYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-19(21)25-18-5-1-3-15(11-18)13-23-9-6-17(7-10-23)24-14-16-4-2-8-22-12-16/h1-5,8,11-12,17,19H,6-7,9-10,13-14H2.
What are the key properties of 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 348.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 56886815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).