1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride

C20H24ClN3O — CID 118741696

IUPAC1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
SMILESCOc1cccc(Cn2c(C3CCNCC3)cc3cccnc32)c1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-24-18-6-2-4-15(12-18)14-23-19(16-7-10-21-11-8-16)13-17-5-3-9-22-20(17)23;/h2-6,9,12-13,16,21H,7-8,10-11,14H2,1H3;1H
InChIKeyDRNFVQWHPWFARU-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.98
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride

1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride (PubChem CID 118741696) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
PubChem CID118741696
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride
SMILESCOc1cccc(Cn2c(C3CCNCC3)cc3cccnc32)c1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-24-18-6-2-4-15(12-18)14-23-19(16-7-10-21-11-8-16)13-17-5-3-9-22-20(17)23;/h2-6,9,12-13,16,21H,7-8,10-11,14H2,1H3;1H
InChIKeyDRNFVQWHPWFARU-UHFFFAOYSA-N
XLogP3.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160405
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187785
1-[(4-fluorophenyl)methyl]-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolo[2,3-b]pyridine
CID 92608115
N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66907302
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
5-[2-(4-methoxyphenoxy)ethyl]-3-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95831365
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223880
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
N-[2-(3-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996030
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride (CID 118741696) is 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride is COc1cccc(Cn2c(C3CCNCC3)cc3cccnc32)c1.Cl.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
The InChIKey is DRNFVQWHPWFARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-24-18-6-2-4-15(12-18)14-23-19(16-7-10-21-11-8-16)13-17-5-3-9-22-20(17)23;/h2-6,9,12-13,16,21H,7-8,10-11,14H2,1H3;1H.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride?
1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylpyrrolo[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 118741696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).