6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine

C18H20N4O — CID 56896281

IUPAC6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cncc(COC2CCN(c3ccc4cc[nH]c4n3)CC2)c1
InChIInChI=1S/C18H20N4O/c1-2-14(12-19-8-1)13-23-16-6-10-22(11-7-16)17-4-3-15-5-9-20-18(15)21-17/h1-5,8-9,12,16H,6-7,10-11,13H2,(H,20,21)
InChIKeyDPBQGMJXWWZJIG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.14
Rot. Bonds4

About 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine

6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 56896281) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID56896281
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cncc(COC2CCN(c3ccc4cc[nH]c4n3)CC2)c1
InChIInChI=1S/C18H20N4O/c1-2-14(12-19-8-1)13-23-16-6-10-22(11-7-16)17-4-3-15-5-9-20-18(15)21-17/h1-5,8-9,12,16H,6-7,10-11,13H2,(H,20,21)
InChIKeyDPBQGMJXWWZJIG-UHFFFAOYSA-N
XLogP3.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
6-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 141174943
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 56905474
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 50960500
4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
CID 154844891
2-[1-(2-pyridin-3-ylthieno[2,3-b]pyridin-6-yl)piperidin-4-yl]oxyethylphosphane
CID 167073464
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 56896281) is 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine is c1cncc(COC2CCN(c3ccc4cc[nH]c4n3)CC2)c1.
What is the InChIKey of 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DPBQGMJXWWZJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-14(12-19-8-1)13-23-16-6-10-22(11-7-16)17-4-3-15-5-9-20-18(15)21-17/h1-5,8-9,12,16H,6-7,10-11,13H2,(H,20,21).
What are the key properties of 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 56896281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).