1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole

C20H23N3 — CID 166362211

IUPAC1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
SMILESCn1ncc2ccc(-c3cccc(CC4CCCCN4)c3)cc21
InChIInChI=1S/C20H23N3/c1-23-20-13-17(8-9-18(20)14-22-23)16-6-4-5-15(11-16)12-19-7-2-3-10-21-19/h4-6,8-9,11,13-14,19,21H,2-3,7,10,12H2,1H3
InChIKeyLQYQONIQEIRINU-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.92
Rot. Bonds3

About 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole

1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole (PubChem CID 166362211) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole.

Molecular Properties

Compound Name1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
PubChem CID166362211
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
SMILESCn1ncc2ccc(-c3cccc(CC4CCCCN4)c3)cc21
InChIInChI=1S/C20H23N3/c1-23-20-13-17(8-9-18(20)14-22-23)16-6-4-5-15(11-16)12-19-7-2-3-10-21-19/h4-6,8-9,11,13-14,19,21H,2-3,7,10,12H2,1H3
InChIKeyLQYQONIQEIRINU-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(piperidin-2-ylmethyl)phenyl]pyrimidine
CID 143624917
1-methyl-6-piperidin-2-ylindazole;hydrochloride
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(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053737
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
6-(piperidin-2-ylmethyl)-1,2-benzoxazole
CID 117308307
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole?
The IUPAC name of 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole (CID 166362211) is 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole.
What is the SMILES notation for 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole?
The canonical SMILES for 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole is Cn1ncc2ccc(-c3cccc(CC4CCCCN4)c3)cc21.
What is the InChIKey of 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole?
The InChIKey is LQYQONIQEIRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-23-20-13-17(8-9-18(20)14-22-23)16-6-4-5-15(11-16)12-19-7-2-3-10-21-19/h4-6,8-9,11,13-14,19,21H,2-3,7,10,12H2,1H3.
What are the key properties of 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole?
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole has a molecular weight of 305.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole is sourced from PubChem (CID 166362211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).