[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

C16H31N3O — CID 63971308

IUPAC[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCOCC1CCN(C2(CN)CC3CCC(C2)N3C)CC1
InChIInChI=1S/C16H31N3O/c1-18-14-3-4-15(18)10-16(9-14,12-17)19-7-5-13(6-8-19)11-20-2/h13-15H,3-12,17H2,1-2H3
InChIKeyQBYPHYJITMLVFZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.30
Rot. Bonds4

About [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (PubChem CID 63971308) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
PubChem CID63971308
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCOCC1CCN(C2(CN)CC3CCC(C2)N3C)CC1
InChIInChI=1S/C16H31N3O/c1-18-14-3-4-15(18)10-16(9-14,12-17)19-7-5-13(6-8-19)11-20-2/h13-15H,3-12,17H2,1-2H3
InChIKeyQBYPHYJITMLVFZ-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The IUPAC name of [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (CID 63971308) is [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.
What is the SMILES notation for [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The canonical SMILES for [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is COCC1CCN(C2(CN)CC3CCC(C2)N3C)CC1.
What is the InChIKey of [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The InChIKey is QBYPHYJITMLVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18-14-3-4-15(18)10-16(9-14,12-17)19-7-5-13(6-8-19)11-20-2/h13-15H,3-12,17H2,1-2H3.
What are the key properties of [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine has a molecular weight of 281.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is sourced from PubChem (CID 63971308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).