1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone

C14H26N2O2 — CID 107148097

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone
SMILESCC1CCCNC1CC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O2/c1-10-5-4-6-15-13(10)7-14(17)16-8-11(2)18-12(3)9-16/h10-13,15H,4-9H2,1-3H3/t10?,11-,12+,13?
InChIKeyTXZFOFBAVYCZEL-UNTZMWQOSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds2

About 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone (PubChem CID 107148097) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone
PubChem CID107148097
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone
SMILESCC1CCCNC1CC(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O2/c1-10-5-4-6-15-13(10)7-14(17)16-8-11(2)18-12(3)9-16/h10-13,15H,4-9H2,1-3H3/t10?,11-,12+,13?
InChIKeyTXZFOFBAVYCZEL-UNTZMWQOSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone (CID 107148097) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone is CC1CCCNC1CC(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone?
The InChIKey is TXZFOFBAVYCZEL-UNTZMWQOSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-5-4-6-15-13(10)7-14(17)16-8-11(2)18-12(3)9-16/h10-13,15H,4-9H2,1-3H3/t10?,11-,12+,13?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 107148097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).