7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride

C13H19Cl2N3 — CID 121210532

IUPAC7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
SMILESCl.Cl.c1cc2ccnc-2n(CC2CCCNC2)c1
InChIInChI=1S/C13H17N3.2ClH/c1-3-11(9-14-6-1)10-16-8-2-4-12-5-7-15-13(12)16;;/h2,4-5,7-8,11,14H,1,3,6,9-10H2;2*1H
InChIKeyGMSNJKSTBKPZDR-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.83
Rot. Bonds2

About 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride

7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride (PubChem CID 121210532) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
PubChem CID121210532
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
SMILESCl.Cl.c1cc2ccnc-2n(CC2CCCNC2)c1
InChIInChI=1S/C13H17N3.2ClH/c1-3-11(9-14-6-1)10-16-8-2-4-12-5-7-15-13(12)16;;/h2,4-5,7-8,11,14H,1,3,6,9-10H2;2*1H
InChIKeyGMSNJKSTBKPZDR-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
CID 62371626
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
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2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
3-[2-(2-thiophen-2-ylimidazol-1-yl)ethyl]piperidine
CID 62358053
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
CID 63205945
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790

Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride?
The IUPAC name of 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride (CID 121210532) is 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride.
What is the SMILES notation for 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride?
The canonical SMILES for 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride is Cl.Cl.c1cc2ccnc-2n(CC2CCCNC2)c1.
What is the InChIKey of 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride?
The InChIKey is GMSNJKSTBKPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2ClH/c1-3-11(9-14-6-1)10-16-8-2-4-12-5-7-15-13(12)16;;/h2,4-5,7-8,11,14H,1,3,6,9-10H2;2*1H.
What are the key properties of 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride?
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride is sourced from PubChem (CID 121210532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).