6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C15H28N2O2 — CID 102963662

IUPAC6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC1CCCN(CC2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-14(2)13-12(6-8-19-13)15(14,16)10-17-7-4-5-11(9-17)18-3/h11-13H,4-10,16H2,1-3H3
InChIKeyUTUGBWKNAAMTLV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.24
Rot. Bonds3

About 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 102963662) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID102963662
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC1CCCN(CC2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-14(2)13-12(6-8-19-13)15(14,16)10-17-7-4-5-11(9-17)18-3/h11-13H,4-10,16H2,1-3H3
InChIKeyUTUGBWKNAAMTLV-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

6-[[2,2-Difluoroethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113654471
7,7-Dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947346
6-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947718
7,7-Dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947734
7,7-Dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948112
7,7-Dimethyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948113
7,7-Dimethyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948115
7,7-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864270
7,7-dimethyl-N-(2-morpholin-4-ylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64869870
7,7-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872252
6-[(2-Methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102698586
7,7-Dimethyl-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102744306

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 102963662) is 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COC1CCCN(CC2(N)C3CCOC3C2(C)C)C1.
What is the InChIKey of 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is UTUGBWKNAAMTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)13-12(6-8-19-13)15(14,16)10-17-7-4-5-11(9-17)18-3/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 268.40 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 102963662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).