1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole

C15H21N3 — CID 117360761

IUPAC1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
SMILESCc1nn(C)c2cccc(CC3CCCNC3)c12
InChIInChI=1S/C15H21N3/c1-11-15-13(9-12-5-4-8-16-10-12)6-3-7-14(15)18(2)17-11/h3,6-7,12,16H,4-5,8-10H2,1-2H3
InChIKeyLGUOIVPOBSBEQQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.42
Rot. Bonds2

About 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole

1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole (PubChem CID 117360761) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole.

Molecular Properties

Compound Name1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
PubChem CID117360761
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
SMILESCc1nn(C)c2cccc(CC3CCCNC3)c12
InChIInChI=1S/C15H21N3/c1-11-15-13(9-12-5-4-8-16-10-12)6-3-7-14(15)18(2)17-11/h3,6-7,12,16H,4-5,8-10H2,1-2H3
InChIKeyLGUOIVPOBSBEQQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
CID 117360765
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
1,4,5-trimethyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 84636844
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole?
The IUPAC name of 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole (CID 117360761) is 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole.
What is the SMILES notation for 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole?
The canonical SMILES for 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole is Cc1nn(C)c2cccc(CC3CCCNC3)c12.
What is the InChIKey of 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole?
The InChIKey is LGUOIVPOBSBEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-15-13(9-12-5-4-8-16-10-12)6-3-7-14(15)18(2)17-11/h3,6-7,12,16H,4-5,8-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole?
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole has a molecular weight of 243.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole is sourced from PubChem (CID 117360761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).