2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one

C13H26N2O2 — CID 103810688

IUPAC2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H26N2O2/c1-4-10(2)12(14)13(16)15-7-5-6-11(8-15)9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyFPUMPLWXMWXQEQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds5

About 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 103810688) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
PubChem CID103810688
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCCC(COC)C1
InChIInChI=1S/C13H26N2O2/c1-4-10(2)12(14)13(16)15-7-5-6-11(8-15)9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyFPUMPLWXMWXQEQ-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]acetamide
CID 119746034
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
2-amino-1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119809795
(2S,3R)-2-amino-3-[(1R)-1-cyclohexylethoxy]-1-[(3S)-3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 171593995
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]hexan-1-one
CID 103831721
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
ethyl 1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylate
CID 61149152
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one (CID 103810688) is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCCC(COC)C1.
What is the InChIKey of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is FPUMPLWXMWXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10(2)12(14)13(16)15-7-5-6-11(8-15)9-17-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one?
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 103810688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).