4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one

C12H24N2O2 — CID 103810666

IUPAC4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCOCC1CCCN(C(=O)CC(C)CN)C1
InChIInChI=1S/C12H24N2O2/c1-10(7-13)6-12(15)14-5-3-4-11(8-14)9-16-2/h10-11H,3-9,13H2,1-2H3
InChIKeyFMNKRRRODYTTCG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.86
Rot. Bonds5

About 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one

4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 103810666) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID103810666
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCOCC1CCCN(C(=O)CC(C)CN)C1
InChIInChI=1S/C12H24N2O2/c1-10(7-13)6-12(15)14-5-3-4-11(8-14)9-16-2/h10-11H,3-9,13H2,1-2H3
InChIKeyFMNKRRRODYTTCG-UHFFFAOYSA-N
XLogP0.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
N-[2-[3-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 164604576
2-(cyclopropylmethylamino)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119781761
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one (CID 103810666) is 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one is COCC1CCCN(C(=O)CC(C)CN)C1.
What is the InChIKey of 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is FMNKRRRODYTTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(7-13)6-12(15)14-5-3-4-11(8-14)9-16-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one?
4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 103810666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).