tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine

C43H82N6O8 — CID 159456950

About tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine

tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine (PubChem CID 159456950) has the molecular formula C43H82N6O8 and a molecular weight of 811.16 g/mol. Its IUPAC name is tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine.

Molecular Properties

• Compound Name: tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine
• PubChem CID: 159456950
• Molecular Formula: C43H82N6O8
• Molecular Weight: 811.16 g/mol
• Exact Mass: 810.62
• IUPAC Name: tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine
• SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1.C[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1
• InChI: InChI=1S/C16H30N2O3.C11H22N2O.C10H17NO3.C6H13NO/c1-12-10-18(11-13(2)20-12)14-6-8-17(9-7-14)15(19)21-16(3,4)5;1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-3-7-4-6(2)8-5/h12-14H,6-11H2,1-5H3;9-12H,3-8H2,1-2H3;4-7H2,1-3H3;5-7H,3-4H2,1-2H3/t12-,13+;9-,10+;;5-,6+
• InChIKey: LUCDKDMQYHIAJD-GXTOBSSXSA-N
• XLogP: 5.31
• TPSA: 134.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	811.16
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine?

The IUPAC name of tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine (CID 159456950) is tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine.

What is the SMILES notation for tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine?

The canonical SMILES for tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine is CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@@H]1CN(C2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1.C[C@@H]1CN(C2CCNCC2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.

What is the InChIKey of tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine?

The InChIKey is LUCDKDMQYHIAJD-GXTOBSSXSA-N. The full InChI is InChI=1S/C16H30N2O3.C11H22N2O.C10H17NO3.C6H13NO/c1-12-10-18(11-13(2)20-12)14-6-8-17(9-7-14)15(19)21-16(3,4)5;1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-3-7-4-6(2)8-5/h12-14H,6-11H2,1-5H3;9-12H,3-8H2,1-2H3;4-7H2,1-3H3;5-7H,3-4H2,1-2H3/t12-,13+;9-,10+;;5-,6+.

What are the key properties of tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine?

tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine has a molecular weight of 811.16 g/mol, XLogP of 5.31, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine is sourced from PubChem (CID 159456950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).