(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine

C26H56N4O2 — CID 158090732

IUPAC(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine
SMILESCN1CCCCC1.C[C@@H]1CCCCN1C.C[C@@H]1CN(C)C[C@H](C)O1.C[C@H]1CN(C)CCO1
InChIInChI=1S/C7H15NO.C7H15N.C6H13NO.C6H13N/c1-6-4-8(3)5-7(2)9-6;1-7-5-3-4-6-8(7)2;1-6-5-7(2)3-4-8-6;1-7-5-3-2-4-6-7/h6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2-6H2,1H3/t6-,7+;7-;6-;/m.10./s1
InChIKeyFOBKRQXNQPNGIK-WOQGTWBKSA-N
MW456.76 g/mol
LogP3.65
Rot. Bonds

About (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine

(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine (PubChem CID 158090732) has the molecular formula C26H56N4O2 and a molecular weight of 456.76 g/mol. Its IUPAC name is (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine.

Molecular Properties

Compound Name(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine
PubChem CID158090732
Molecular FormulaC26H56N4O2
Molecular Weight456.76 g/mol
Exact Mass456.44
IUPAC Name(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine
SMILESCN1CCCCC1.C[C@@H]1CCCCN1C.C[C@@H]1CN(C)C[C@H](C)O1.C[C@H]1CN(C)CCO1
InChIInChI=1S/C7H15NO.C7H15N.C6H13NO.C6H13N/c1-6-4-8(3)5-7(2)9-6;1-7-5-3-4-6-8(7)2;1-6-5-7(2)3-4-8-6;1-7-5-3-2-4-6-7/h6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2-6H2,1H3/t6-,7+;7-;6-;/m.10./s1
InChIKeyFOBKRQXNQPNGIK-WOQGTWBKSA-N
XLogP3.65
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine?
The IUPAC name of (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine (CID 158090732) is (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine.
What is the SMILES notation for (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine?
The canonical SMILES for (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine is CN1CCCCC1.C[C@@H]1CCCCN1C.C[C@@H]1CN(C)C[C@H](C)O1.C[C@H]1CN(C)CCO1.
What is the InChIKey of (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine?
The InChIKey is FOBKRQXNQPNGIK-WOQGTWBKSA-N. The full InChI is InChI=1S/C7H15NO.C7H15N.C6H13NO.C6H13N/c1-6-4-8(3)5-7(2)9-6;1-7-5-3-4-6-8(7)2;1-6-5-7(2)3-4-8-6;1-7-5-3-2-4-6-7/h6-7H,4-5H2,1-3H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3;2-6H2,1H3/t6-,7+;7-;6-;/m.10./s1.
What are the key properties of (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine?
(2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine has a molecular weight of 456.76 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethylmorpholine;(2R)-1,2-dimethylpiperidine;1-methylpiperidine;(2R,6S)-2,4,6-trimethylmorpholine is sourced from PubChem (CID 158090732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).