1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one

C13H26N2O — CID 170424086

IUPAC1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1C(CNC)CCCC1C(C)C
InChIInChI=1S/C13H26N2O/c1-5-13(16)15-11(9-14-4)7-6-8-12(15)10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyBFJXYNVLWCJZNL-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds4

About 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one

1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 170424086) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one
PubChem CID170424086
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1C(CNC)CCCC1C(C)C
InChIInChI=1S/C13H26N2O/c1-5-13(16)15-11(9-14-4)7-6-8-12(15)10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyBFJXYNVLWCJZNL-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-6-(methylaminomethyl)piperidin-1-yl]ethanone
CID 166977860
ethane;1-[2-(methylaminomethyl)azetidin-1-yl]propan-1-one
CID 90880652
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
N-methyl-1-[(2S,5R)-1-methyl-5-propan-2-ylpyrrolidin-2-yl]methanamine
CID 122206985
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one
CID 119651206
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 119649061
ethane;2-ethyl-1-methyl-6-propan-2-ylpiperidine
CID 170570727
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one (CID 170424086) is 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one is CCC(=O)N1C(CNC)CCCC1C(C)C.
What is the InChIKey of 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is BFJXYNVLWCJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(16)15-11(9-14-4)7-6-8-12(15)10(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one?
1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)-6-propan-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 170424086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).