3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C12H24N2O2 — CID 63971157

IUPAC3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1CCN(C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,9-13)11(15)14-6-4-10(5-7-14)8-16-3/h10H,4-9,13H2,1-3H3
InChIKeyWZTARFUIECHFBU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.86
Rot. Bonds4

About 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 63971157) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID63971157
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOCC1CCN(C(=O)C(C)(C)CN)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,9-13)11(15)14-6-4-10(5-7-14)8-16-3/h10H,4-9,13H2,1-3H3
InChIKeyWZTARFUIECHFBU-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
CID 113307689
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
(2S)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119776125
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
2-ethyl-2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
CID 63979779
3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 131747487
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 63971157) is 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is COCC1CCN(C(=O)C(C)(C)CN)CC1.
What is the InChIKey of 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WZTARFUIECHFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,9-13)11(15)14-6-4-10(5-7-14)8-16-3/h10H,4-9,13H2,1-3H3.
What are the key properties of 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 63971157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).