2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine

C22H30N2O2 — CID 118348745

IUPAC2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine
SMILESCC(C)COc1cccc(CN2CCC(COCc3ccccn3)C2)c1
InChIInChI=1S/C22H30N2O2/c1-18(2)15-26-22-8-5-6-19(12-22)13-24-11-9-20(14-24)16-25-17-21-7-3-4-10-23-21/h3-8,10,12,18,20H,9,11,13-17H2,1-2H3
InChIKeyYBKDYQKZNNZDJZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.16
Rot. Bonds9

About 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine

2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine (PubChem CID 118348745) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine.

Molecular Properties

Compound Name2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine
PubChem CID118348745
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine
SMILESCC(C)COc1cccc(CN2CCC(COCc3ccccn3)C2)c1
InChIInChI=1S/C22H30N2O2/c1-18(2)15-26-22-8-5-6-19(12-22)13-24-11-9-20(14-24)16-25-17-21-7-3-4-10-23-21/h3-8,10,12,18,20H,9,11,13-17H2,1-2H3
InChIKeyYBKDYQKZNNZDJZ-UHFFFAOYSA-N
XLogP4.16
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
(3S)-N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 125491998
[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl] methanesulfonate
CID 118342664
N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 123192059
2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 126786698
2-[[3-[[3-(3-methoxyphenoxy)azetidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 77097732
[(3S,6R)-6-(dimethylamino)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]azepan-3-yl]methanol
CID 171908272
5-(3-fluoro-2-pyridinyl)-3-[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 118348917
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
2-[[3-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]phenoxy]methyl]pyridine
CID 99960236
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine?
The IUPAC name of 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine (CID 118348745) is 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine.
What is the SMILES notation for 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine?
The canonical SMILES for 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine is CC(C)COc1cccc(CN2CCC(COCc3ccccn3)C2)c1.
What is the InChIKey of 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine?
The InChIKey is YBKDYQKZNNZDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18(2)15-26-22-8-5-6-19(12-22)13-24-11-9-20(14-24)16-25-17-21-7-3-4-10-23-21/h3-8,10,12,18,20H,9,11,13-17H2,1-2H3.
What are the key properties of 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine?
2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine has a molecular weight of 354.49 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl]methoxymethyl]pyridine is sourced from PubChem (CID 118348745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).