5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C14H19N3O — CID 59774841

IUPAC5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(COc2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C14H19N3O/c1-17-6-3-11(4-7-17)10-18-13-8-12-2-5-15-14(12)16-9-13/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,15,16)
InChIKeyIJKSDTPUROUQGQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds3

About 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine

5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59774841) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59774841
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(COc2cnc3[nH]ccc3c2)CC1
InChIInChI=1S/C14H19N3O/c1-17-6-3-11(4-7-17)10-18-13-8-12-2-5-15-14(12)16-9-13/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,15,16)
InChIKeyIJKSDTPUROUQGQ-UHFFFAOYSA-N
XLogP2.28
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 155411920
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
12-[(1-methylpiperidin-4-yl)methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266586
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
5-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 151650457
N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine
CID 59593291
3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
CID 67001177
5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 59774837
N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine
CID 151731068
4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 68710696
(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 135332401

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 59774841) is 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is CN1CCC(COc2cnc3[nH]ccc3c2)CC1.
What is the InChIKey of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IJKSDTPUROUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-6-3-11(4-7-17)10-18-13-8-12-2-5-15-14(12)16-9-13/h2,5,8-9,11H,3-4,6-7,10H2,1H3,(H,15,16).
What are the key properties of 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59774841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).