2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine

C20H24N2O4 — CID 56904179

IUPAC2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESCOc1cc(CN2CCCC(OCc3ccccn3)C2)cc2c1OCO2
InChIInChI=1S/C20H24N2O4/c1-23-18-9-15(10-19-20(18)26-14-25-19)11-22-8-4-6-17(12-22)24-13-16-5-2-3-7-21-16/h2-3,5,7,9-10,17H,4,6,8,11-14H2,1H3
InChIKeyFXHSMSVCURWBAM-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.00
Rot. Bonds6

About 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine

2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 56904179) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID56904179
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESCOc1cc(CN2CCCC(OCc3ccccn3)C2)cc2c1OCO2
InChIInChI=1S/C20H24N2O4/c1-23-18-9-15(10-19-20(18)26-14-25-19)11-22-8-4-6-17(12-22)24-13-16-5-2-3-7-21-16/h2-3,5,7,9-10,17H,4,6,8,11-14H2,1H3
InChIKeyFXHSMSVCURWBAM-UHFFFAOYSA-N
XLogP3.00
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine with MolForge

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
4-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]pyrimidine
CID 74246946
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
(3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol
CID 28739874
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45203283
(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-methyl-1,4-oxazepane
CID 99930964
(3S)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidine
CID 26347361
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 115572033

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine (CID 56904179) is 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine is COc1cc(CN2CCCC(OCc3ccccn3)C2)cc2c1OCO2.
What is the InChIKey of 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is FXHSMSVCURWBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-23-18-9-15(10-19-20(18)26-14-25-19)11-22-8-4-6-17(12-22)24-13-16-5-2-3-7-21-16/h2-3,5,7,9-10,17H,4,6,8,11-14H2,1H3.
What are the key properties of 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 356.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 56904179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).