[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone

C16H22N4O — CID 103120794

IUPAC[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCC1CCCC(CN)N1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C16H22N4O/c1-11-6-5-7-12(10-17)20(11)16(21)15-13-8-3-4-9-14(13)19(2)18-15/h3-4,8-9,11-12H,5-7,10,17H2,1-2H3
InChIKeyMRZPFZMAIJKHJO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.92
Rot. Bonds2

About [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 103120794) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
PubChem CID103120794
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
SMILESCC1CCCC(CN)N1C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C16H22N4O/c1-11-6-5-7-12(10-17)20(11)16(21)15-13-8-3-4-9-14(13)19(2)18-15/h3-4,8-9,11-12H,5-7,10,17H2,1-2H3
InChIKeyMRZPFZMAIJKHJO-UHFFFAOYSA-N
XLogP1.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
(2,6-dimethylpiperazin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103120779
[2-(aminomethyl)-6-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120796
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511576
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
6-[2-(aminomethyl)-6-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040275
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone (CID 103120794) is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone is CC1CCCC(CN)N1C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is MRZPFZMAIJKHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-6-5-7-12(10-17)20(11)16(21)15-13-8-3-4-9-14(13)19(2)18-15/h3-4,8-9,11-12H,5-7,10,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone?
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103120794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).