3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine

C12H24N2O — CID 104967658

IUPAC3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
SMILESC[C@@H]1CCC[C@H](C)N1CC1COCCN1
InChIInChI=1S/C12H24N2O/c1-10-4-3-5-11(2)14(10)8-12-9-15-7-6-13-12/h10-13H,3-9H2,1-2H3/t10-,11+,12?
InChIKeyTYVDORZYACEHSV-FOSCPWQOSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds2

About 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine

3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine (PubChem CID 104967658) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
PubChem CID104967658
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine
SMILESC[C@@H]1CCC[C@H](C)N1CC1COCCN1
InChIInChI=1S/C12H24N2O/c1-10-4-3-5-11(2)14(10)8-12-9-15-7-6-13-12/h10-13H,3-9H2,1-2H3/t10-,11+,12?
InChIKeyTYVDORZYACEHSV-FOSCPWQOSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine?
The IUPAC name of 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine (CID 104967658) is 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine.
What is the SMILES notation for 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine?
The canonical SMILES for 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine is C[C@@H]1CCC[C@H](C)N1CC1COCCN1.
What is the InChIKey of 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine?
The InChIKey is TYVDORZYACEHSV-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-4-3-5-11(2)14(10)8-12-9-15-7-6-13-12/h10-13H,3-9H2,1-2H3/t10-,11+,12?.
What are the key properties of 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine?
3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]morpholine is sourced from PubChem (CID 104967658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).