2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone

C14H26N2O2 — CID 120788464

IUPAC2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESCC1(C)CCCN(C(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2)6-3-7-16(10-14)13(17)12(15)11-4-8-18-9-5-11/h11-12H,3-10,15H2,1-2H3
InChIKeyRFNUIUVETXYEOR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.39
Rot. Bonds2

About 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone

2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 120788464) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID120788464
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
SMILESCC1(C)CCCN(C(=O)C(N)C2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2)6-3-7-16(10-14)13(17)12(15)11-4-8-18-9-5-11/h11-12H,3-10,15H2,1-2H3
InChIKeyRFNUIUVETXYEOR-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120793643
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
2-amino-1-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)-2-(oxan-4-yl)ethanone
CID 120796476
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(oxan-4-yl)ethanone
CID 120795298
2-amino-1-(3,3-diethylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792953
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-(oxan-4-yl)ethanone
CID 120791664
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120794119
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120795292
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120791276
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120792917

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone (CID 120788464) is 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone is CC1(C)CCCN(C(=O)C(N)C2CCOCC2)C1.
What is the InChIKey of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is RFNUIUVETXYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)6-3-7-16(10-14)13(17)12(15)11-4-8-18-9-5-11/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone?
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120788464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).