7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C16H30N2O2 — CID 102963664

IUPAC7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOC1CCCN(CC2(N)C3CCCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-15(2)14-13(7-5-9-20-14)16(15,17)11-18-8-4-6-12(10-18)19-3/h12-14H,4-11,17H2,1-3H3
InChIKeyIOHGJAVHZQMTRN-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.63
Rot. Bonds3

About 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 102963664) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID102963664
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOC1CCCN(CC2(N)C3CCCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-15(2)14-13(7-5-9-20-14)16(15,17)11-18-8-4-6-12(10-18)19-3/h12-14H,4-11,17H2,1-3H3
InChIKeyIOHGJAVHZQMTRN-UHFFFAOYSA-N
XLogP1.63
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 75516169
8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
8,8-Dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
8,8-Dimethyl-7-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948111
7-[[2,2-Difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948361
8,8-dimethyl-N-(3-morpholin-4-ylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863415
8,8-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863985
8,8-dimethyl-N-(2-morpholin-4-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865153
8,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865165
8-Morpholin-4-yl-2-oxabicyclo[4.2.0]octan-7-amine
CID 79677358
8-(4-Methylpiperidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 79677834

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 102963664) is 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COC1CCCN(CC2(N)C3CCCOC3C2(C)C)C1.
What is the InChIKey of 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is IOHGJAVHZQMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-15(2)14-13(7-5-9-20-14)16(15,17)11-18-8-4-6-12(10-18)19-3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 282.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 102963664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).