N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine

C12H22N2O — CID 80721194

IUPACN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
SMILESCNC1CCN(C2CC3CCC2O3)CC1
InChIInChI=1S/C12H22N2O/c1-13-9-4-6-14(7-5-9)11-8-10-2-3-12(11)15-10/h9-13H,2-8H2,1H3
InChIKeyRXTZDQWMQPHEGP-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine

N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine (PubChem CID 80721194) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
PubChem CID80721194
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine
SMILESCNC1CCN(C2CC3CCC2O3)CC1
InChIInChI=1S/C12H22N2O/c1-13-9-4-6-14(7-5-9)11-8-10-2-3-12(11)15-10/h9-13H,2-8H2,1H3
InChIKeyRXTZDQWMQPHEGP-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine (CID 80721194) is N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine is CNC1CCN(C2CC3CCC2O3)CC1.
What is the InChIKey of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
The InChIKey is RXTZDQWMQPHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-13-9-4-6-14(7-5-9)11-8-10-2-3-12(11)15-10/h9-13H,2-8H2,1H3.
What are the key properties of N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine?
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine has a molecular weight of 210.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidin-4-amine is sourced from PubChem (CID 80721194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).