2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C15H29N3O — CID 63249850

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCNCC1CCCCN1CC(=O)N1CCCCC1C
InChIInChI=1S/C15H29N3O/c1-13-7-3-6-10-18(13)15(19)12-17-9-5-4-8-14(17)11-16-2/h13-14,16H,3-12H2,1-2H3
InChIKeyYGKGUBOXOGDVGF-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds4

About 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 63249850) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID63249850
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCNCC1CCCCN1CC(=O)N1CCCCC1C
InChIInChI=1S/C15H29N3O/c1-13-7-3-6-10-18(13)15(19)12-17-9-5-4-8-14(17)11-16-2/h13-14,16H,3-12H2,1-2H3
InChIKeyYGKGUBOXOGDVGF-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 63250205
5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one
CID 55167972
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 63249850) is 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CNCC1CCCCN1CC(=O)N1CCCCC1C.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is YGKGUBOXOGDVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13-7-3-6-10-18(13)15(19)12-17-9-5-4-8-14(17)11-16-2/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63249850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).