6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole

C17H23N3O — CID 169112657

IUPAC6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole
SMILESCC1CCC(c2ccc3cn(C4CCOC4)nc3c2)NC1
InChIInChI=1S/C17H23N3O/c1-12-2-5-16(18-9-12)13-3-4-14-10-20(19-17(14)8-13)15-6-7-21-11-15/h3-4,8,10,12,15-16,18H,2,5-7,9,11H2,1H3
InChIKeyXPKORJDGDMVXBI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.06
Rot. Bonds2

About 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole

6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole (PubChem CID 169112657) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole.

Molecular Properties

Compound Name6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole
PubChem CID169112657
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole
SMILESCC1CCC(c2ccc3cn(C4CCOC4)nc3c2)NC1
InChIInChI=1S/C17H23N3O/c1-12-2-5-16(18-9-12)13-3-4-14-10-20(19-17(14)8-13)15-6-7-21-11-15/h3-4,8,10,12,15-16,18H,2,5-7,9,11H2,1H3
InChIKeyXPKORJDGDMVXBI-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
6-[(2R,5S)-5-methylpiperidin-2-yl]-2-(1,5,5-trimethylpiperidin-3-yl)indazole
CID 169112387
2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-6-[(2R,5S)-5-methylpiperidin-2-yl]indazole
CID 176754610
3-methyl-7-[(2R,5S)-5-methylpiperidin-2-yl]quinoline
CID 169113739
2-methyl-5-(5-methylpiperidin-2-yl)-1,3-benzoxazole
CID 175627696
(3S)-3-methyl-8-[(5S)-5-methylpiperidin-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole
CID 176910061
5-[(2R,5S)-5-methylpiperidin-2-yl]-1,3-benzothiazol-2-amine
CID 164750164
6-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(oxan-4-yl)indazole
CID 169112537
tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112231
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
CID 164753784
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole?
The IUPAC name of 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole (CID 169112657) is 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole.
What is the SMILES notation for 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole?
The canonical SMILES for 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole is CC1CCC(c2ccc3cn(C4CCOC4)nc3c2)NC1.
What is the InChIKey of 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole?
The InChIKey is XPKORJDGDMVXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-2-5-16(18-9-12)13-3-4-14-10-20(19-17(14)8-13)15-6-7-21-11-15/h3-4,8,10,12,15-16,18H,2,5-7,9,11H2,1H3.
What are the key properties of 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole?
6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole has a molecular weight of 285.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylpiperidin-2-yl)-2-(oxolan-3-yl)indazole is sourced from PubChem (CID 169112657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).