1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one

C15H28N2O3 — CID 120817284

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
SMILESCC1(C)CN(C(=O)CCOC2CCOCC2)CCC1N
InChIInChI=1S/C15H28N2O3/c1-15(2)11-17(7-3-13(15)16)14(18)6-10-20-12-4-8-19-9-5-12/h12-13H,3-11,16H2,1-2H3
InChIKeyMAOTZTHWHCNGQU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.16
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one (PubChem CID 120817284) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
PubChem CID120817284
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
SMILESCC1(C)CN(C(=O)CCOC2CCOCC2)CCC1N
InChIInChI=1S/C15H28N2O3/c1-15(2)11-17(7-3-13(15)16)14(18)6-10-20-12-4-8-19-9-5-12/h12-13H,3-11,16H2,1-2H3
InChIKeyMAOTZTHWHCNGQU-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120817590
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-ethoxybutan-1-one;hydrochloride
CID 120819208
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120815097
1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 132971515
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one;hydrochloride
CID 120815683
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 120817801
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 120816541
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
1-(3,5-dimethylpiperazin-1-yl)-3-(oxan-4-yloxy)propan-1-one;hydrochloride
CID 119564455
6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514759
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one;hydrochloride
CID 120817690
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one (CID 120817284) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one is CC1(C)CN(C(=O)CCOC2CCOCC2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one?
The InChIKey is MAOTZTHWHCNGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2)11-17(7-3-13(15)16)14(18)6-10-20-12-4-8-19-9-5-12/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one has a molecular weight of 284.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one is sourced from PubChem (CID 120817284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).