7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C17H32N2O2 — CID 102963329

IUPAC7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOC1CN(CC2(N)C3CCCOC3C2(C)C)CCC1C
InChIInChI=1S/C17H32N2O2/c1-12-7-8-19(10-14(12)20-4)11-17(18)13-6-5-9-21-15(13)16(17,2)3/h12-15H,5-11,18H2,1-4H3
InChIKeyPBHQEACJUKNJNZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.88
Rot. Bonds3

About 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 102963329) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID102963329
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOC1CN(CC2(N)C3CCCOC3C2(C)C)CCC1C
InChIInChI=1S/C17H32N2O2/c1-12-7-8-19(10-14(12)20-4)11-17(18)13-6-5-9-21-15(13)16(17,2)3/h12-15H,5-11,18H2,1-4H3
InChIKeyPBHQEACJUKNJNZ-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(3-methoxy-4-methylpiperidin-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-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
N,2-dimethyl-2-morpholin-4-yl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79906961
2-Methyl-2-morpholin-4-yl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79906979
2-Methyl-2-morpholin-4-yl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79911446
(1S,6S,7R)-8,8-dimethyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 98891113
8,8-Dimethyl-7-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 102913395
7-[(3-Methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 102963664
N'-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994235
2-N-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189448

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 102963329) is 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COC1CN(CC2(N)C3CCCOC3C2(C)C)CCC1C.
What is the InChIKey of 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is PBHQEACJUKNJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12-7-8-19(10-14(12)20-4)11-17(18)13-6-5-9-21-15(13)16(17,2)3/h12-15H,5-11,18H2,1-4H3.
What are the key properties of 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 296.45 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 102963329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).