1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole

C16H23N3 — CID 176552580

IUPAC1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole
SMILESCC(C)C1CCN(c2nn(C)c3ccccc23)CC1
InChIInChI=1S/C16H23N3/c1-12(2)13-8-10-19(11-9-13)16-14-6-4-5-7-15(14)18(3)17-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyODTJQGWIYXOBDC-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.45
Rot. Bonds2

About 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole

1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole (PubChem CID 176552580) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole.

Molecular Properties

Compound Name1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole
PubChem CID176552580
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole
SMILESCC(C)C1CCN(c2nn(C)c3ccccc23)CC1
InChIInChI=1S/C16H23N3/c1-12(2)13-8-10-19(11-9-13)16-14-6-4-5-7-15(14)18(3)17-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyODTJQGWIYXOBDC-UHFFFAOYSA-N
XLogP3.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindazol-3-yl)pyrrolidin-3-amine
CID 83835920
3-(chloromethyl)-1-(4-propan-2-ylpiperidin-1-yl)isoquinoline
CID 103501472
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
CID 177327977
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
1-methyl-3-(trifluoromethyl)indazole
CID 83446574
2-methyl-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 174276377
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
CID 59598901
3-(difluoromethyl)-1-methylindazole
CID 153487584

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole?
The IUPAC name of 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole (CID 176552580) is 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole.
What is the SMILES notation for 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole?
The canonical SMILES for 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole is CC(C)C1CCN(c2nn(C)c3ccccc23)CC1.
What is the InChIKey of 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole?
The InChIKey is ODTJQGWIYXOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)13-8-10-19(11-9-13)16-14-6-4-5-7-15(14)18(3)17-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole?
1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole has a molecular weight of 257.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propan-2-ylpiperidin-1-yl)indazole is sourced from PubChem (CID 176552580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).