1-methyl-6-piperidin-2-ylindazole;hydrochloride

C13H18ClN3 — CID 154883669

IUPAC1-methyl-6-piperidin-2-ylindazole;hydrochloride
SMILESCl.Cn1ncc2ccc(C3CCCCN3)cc21
InChIInChI=1S/C13H17N3.ClH/c1-16-13-8-10(5-6-11(13)9-15-16)12-4-2-3-7-14-12;/h5-6,8-9,12,14H,2-4,7H2,1H3;1H
InChIKeyALJWQTZUZHCTIJ-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.81
Rot. Bonds1

About 1-methyl-6-piperidin-2-ylindazole;hydrochloride

1-methyl-6-piperidin-2-ylindazole;hydrochloride (PubChem CID 154883669) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-methyl-6-piperidin-2-ylindazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-6-piperidin-2-ylindazole;hydrochloride
PubChem CID154883669
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name1-methyl-6-piperidin-2-ylindazole;hydrochloride
SMILESCl.Cn1ncc2ccc(C3CCCCN3)cc21
InChIInChI=1S/C13H17N3.ClH/c1-16-13-8-10(5-6-11(13)9-15-16)12-4-2-3-7-14-12;/h5-6,8-9,12,14H,2-4,7H2,1H3;1H
InChIKeyALJWQTZUZHCTIJ-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-7-piperidin-2-ylpyrido[4,3-b]indole
CID 116986169
3-methyl-7-piperidin-2-ylisoquinoline
CID 117325813
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869
6-(azepan-2-yl)-1H-indazole
CID 81146636
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
2-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]pyridine
CID 124641020
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-piperidin-2-ylindazole;hydrochloride?
The IUPAC name of 1-methyl-6-piperidin-2-ylindazole;hydrochloride (CID 154883669) is 1-methyl-6-piperidin-2-ylindazole;hydrochloride.
What is the SMILES notation for 1-methyl-6-piperidin-2-ylindazole;hydrochloride?
The canonical SMILES for 1-methyl-6-piperidin-2-ylindazole;hydrochloride is Cl.Cn1ncc2ccc(C3CCCCN3)cc21.
What is the InChIKey of 1-methyl-6-piperidin-2-ylindazole;hydrochloride?
The InChIKey is ALJWQTZUZHCTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-16-13-8-10(5-6-11(13)9-15-16)12-4-2-3-7-14-12;/h5-6,8-9,12,14H,2-4,7H2,1H3;1H.
What are the key properties of 1-methyl-6-piperidin-2-ylindazole;hydrochloride?
1-methyl-6-piperidin-2-ylindazole;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-piperidin-2-ylindazole;hydrochloride is sourced from PubChem (CID 154883669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).