2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one

C12H24N2O2 — CID 107391572

IUPAC2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
SMILESCCC(CN)C(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H24N2O2/c1-4-10(8-13)11(15)14-7-5-6-12(2,9-14)16-3/h10H,4-9,13H2,1-3H3
InChIKeyCMRWVJRLBNBXLB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one

2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one (PubChem CID 107391572) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
PubChem CID107391572
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
SMILESCCC(CN)C(=O)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H24N2O2/c1-4-10(8-13)11(15)14-7-5-6-12(2,9-14)16-3/h10H,4-9,13H2,1-3H3
InChIKeyCMRWVJRLBNBXLB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 75494909
N-(2-Methoxyethyl)piperidine-3-carboxamide
CID 18072310
Tert-butyl 3-(2-methoxyethylcarbamoyl)piperidine-1-carboxylate
CID 24689110
(S)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28162916
N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 47003366
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide
CID 57632657
4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 68506501
N-(2-methoxyethyl)-1-propylpiperidine-3-carboxamide
CID 70843751
1-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 84457007
ethane;1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767659
1-[2-(3-Aminopropyl)morpholin-4-yl]-2-methylpropan-1-one
CID 155354230
1-[(2S)-2-(3-aminopropyl)morpholin-4-yl]-2-methylpropan-1-one
CID 155354513

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one (CID 107391572) is 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one is CCC(CN)C(=O)N1CCCC(C)(OC)C1.
What is the InChIKey of 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one?
The InChIKey is CMRWVJRLBNBXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(8-13)11(15)14-7-5-6-12(2,9-14)16-3/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one?
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 107391572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).