(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine

C13H26N2O2 — CID 97102416

IUPAC(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine
SMILESC[C@@H]1CN(CCOC2CCNCC2)C[C@H](C)O1
InChIInChI=1S/C13H26N2O2/c1-11-9-15(10-12(2)17-11)7-8-16-13-3-5-14-6-4-13/h11-14H,3-10H2,1-2H3/t11-,12+
InChIKeyOEJUTPHECMERII-TXEJJXNPSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine

(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine (PubChem CID 97102416) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine
PubChem CID97102416
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine
SMILESC[C@@H]1CN(CCOC2CCNCC2)C[C@H](C)O1
InChIInChI=1S/C13H26N2O2/c1-11-9-15(10-12(2)17-11)7-8-16-13-3-5-14-6-4-13/h11-14H,3-10H2,1-2H3/t11-,12+
InChIKeyOEJUTPHECMERII-TXEJJXNPSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine (CID 97102416) is (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine is C[C@@H]1CN(CCOC2CCNCC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine?
The InChIKey is OEJUTPHECMERII-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-9-15(10-12(2)17-11)7-8-16-13-3-5-14-6-4-13/h11-14H,3-10H2,1-2H3/t11-,12+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine?
(2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(2-piperidin-4-yloxyethyl)morpholine is sourced from PubChem (CID 97102416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).