3-methyl-1-(piperidin-2-ylmethyl)indazole

C14H19N3 — CID 84793021

IUPAC3-methyl-1-(piperidin-2-ylmethyl)indazole
SMILESCc1nn(CC2CCCCN2)c2ccccc12
InChIInChI=1S/C14H19N3/c1-11-13-7-2-3-8-14(13)17(16-11)10-12-6-4-5-9-15-12/h2-3,7-8,12,15H,4-6,9-10H2,1H3
InChIKeyYFCXHZUWVVCXPK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.49
Rot. Bonds2

About 3-methyl-1-(piperidin-2-ylmethyl)indazole

3-methyl-1-(piperidin-2-ylmethyl)indazole (PubChem CID 84793021) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-2-ylmethyl)indazole.

Molecular Properties

Compound Name3-methyl-1-(piperidin-2-ylmethyl)indazole
PubChem CID84793021
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methyl-1-(piperidin-2-ylmethyl)indazole
SMILESCc1nn(CC2CCCCN2)c2ccccc12
InChIInChI=1S/C14H19N3/c1-11-13-7-2-3-8-14(13)17(16-11)10-12-6-4-5-9-15-12/h2-3,7-8,12,15H,4-6,9-10H2,1H3
InChIKeyYFCXHZUWVVCXPK-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
3-(piperidin-2-ylmethyl)-1,2,3-benzotriazin-4-one;hydrochloride
CID 78053632
1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole
CID 141439021
3,5-dimethyl-2-(pyrrolidin-2-ylmethyl)indazole
CID 84793009
2-[(5-methoxy-3-methylpyrazol-1-yl)methyl]piperidine
CID 84722956
1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one
CID 116563673
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330
1-chloro-2-methyl-3-(piperidin-2-ylmethyl)indolizine
CID 116993733
2-methyl-1-(piperidin-2-ylmethyl)-2,3-dihydroindole
CID 24692606
1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560889
2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-2-ylmethyl)indazole?
The IUPAC name of 3-methyl-1-(piperidin-2-ylmethyl)indazole (CID 84793021) is 3-methyl-1-(piperidin-2-ylmethyl)indazole.
What is the SMILES notation for 3-methyl-1-(piperidin-2-ylmethyl)indazole?
The canonical SMILES for 3-methyl-1-(piperidin-2-ylmethyl)indazole is Cc1nn(CC2CCCCN2)c2ccccc12.
What is the InChIKey of 3-methyl-1-(piperidin-2-ylmethyl)indazole?
The InChIKey is YFCXHZUWVVCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-13-7-2-3-8-14(13)17(16-11)10-12-6-4-5-9-15-12/h2-3,7-8,12,15H,4-6,9-10H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-2-ylmethyl)indazole?
3-methyl-1-(piperidin-2-ylmethyl)indazole has a molecular weight of 229.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-2-ylmethyl)indazole is sourced from PubChem (CID 84793021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).