(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone

C13H24N2O2 — CID 114083990

IUPAC(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2NCCCC2(C)C)CCO1
InChIInChI=1S/C13H24N2O2/c1-10-9-15(7-8-17-10)12(16)11-13(2,3)5-4-6-14-11/h10-11,14H,4-9H2,1-3H3
InChIKeyALOGBIFRBZQWEY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds1

About (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone

(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 114083990) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID114083990
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2NCCCC2(C)C)CCO1
InChIInChI=1S/C13H24N2O2/c1-10-9-15(7-8-17-10)12(16)11-13(2,3)5-4-6-14-11/h10-11,14H,4-9H2,1-3H3
InChIKeyALOGBIFRBZQWEY-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone (CID 114083990) is (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2NCCCC2(C)C)CCO1.
What is the InChIKey of (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is ALOGBIFRBZQWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-15(7-8-17-10)12(16)11-13(2,3)5-4-6-14-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone?
(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 114083990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).