[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine

C15H28N2O — CID 107391109

IUPAC[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCOC1(C)CCCN(C2(CN)CC3CCC2C3)C1
InChIInChI=1S/C15H28N2O/c1-14(18-2)6-3-7-17(11-14)15(10-16)9-12-4-5-13(15)8-12/h12-13H,3-11,16H2,1-2H3
InChIKeyYSWIIPRHPROBOJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.00
Rot. Bonds3

About [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 107391109) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID107391109
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESCOC1(C)CCCN(C2(CN)CC3CCC2C3)C1
InChIInChI=1S/C15H28N2O/c1-14(18-2)6-3-7-17(11-14)15(10-16)9-12-4-5-13(15)8-12/h12-13H,3-11,16H2,1-2H3
InChIKeyYSWIIPRHPROBOJ-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 107391361
[2-ethyl-1-(3-methoxy-3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 107391328
[1-(3-methoxy-3-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 107391366
[1-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylcyclohexyl]methanamine
CID 107391476
[2-(2-ethylazepan-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 104689190
[3-(3-methoxy-3-methylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
CID 107391225
2-cyclopropyl-3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propan-1-amine
CID 107391339
[1-(3-methoxy-3-methylazetidin-1-yl)cyclobutyl]methanamine
CID 130964277
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391216
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
2-ethyl-2-(3-methoxy-3-methylpiperidin-1-yl)butan-1-amine
CID 107391280

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 107391109) is [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine is COC1(C)CCCN(C2(CN)CC3CCC2C3)C1.
What is the InChIKey of [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is YSWIIPRHPROBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(18-2)6-3-7-17(11-14)15(10-16)9-12-4-5-13(15)8-12/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-3-methylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 107391109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).