(6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine

C34H66N6O3 — CID 145162344

IUPAC(6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
SMILESCC[C@@H]1CN(C2CCN(C)CC2)CC(C)([C@@H]2CN(C3CCN(C)CC3)C[C@H](C)O2)O1.CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H46N4O2.C10H20N2O/c1-6-22-16-28(21-9-13-26(5)14-10-21)18-24(3,30-22)23-17-27(15-19(2)29-23)20-7-11-25(4)12-8-20;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h19-23H,6-18H2,1-5H3;10H,2-9H2,1H3/t19-,22+,23-,24?;/m0./s1
InChIKeyBCFFIHVPBULURR-AXJLNSGSSA-N
MW606.94 g/mol
LogP2.55
Rot. Bonds5

About (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine

(6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine (PubChem CID 145162344) has the molecular formula C34H66N6O3 and a molecular weight of 606.94 g/mol. Its IUPAC name is (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
PubChem CID145162344
Molecular FormulaC34H66N6O3
Molecular Weight606.94 g/mol
Exact Mass606.52
IUPAC Name(6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
SMILESCC[C@@H]1CN(C2CCN(C)CC2)CC(C)([C@@H]2CN(C3CCN(C)CC3)C[C@H](C)O2)O1.CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H46N4O2.C10H20N2O/c1-6-22-16-28(21-9-13-26(5)14-10-21)18-24(3,30-22)23-17-27(15-19(2)29-23)20-7-11-25(4)12-8-20;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h19-23H,6-18H2,1-5H3;10H,2-9H2,1H3/t19-,22+,23-,24?;/m0./s1
InChIKeyBCFFIHVPBULURR-AXJLNSGSSA-N
XLogP2.55
TPSA47.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.94
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
The IUPAC name of (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine (CID 145162344) is (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine.
What is the SMILES notation for (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
The canonical SMILES for (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine is CC[C@@H]1CN(C2CCN(C)CC2)CC(C)([C@@H]2CN(C3CCN(C)CC3)C[C@H](C)O2)O1.CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
The InChIKey is BCFFIHVPBULURR-AXJLNSGSSA-N. The full InChI is InChI=1S/C24H46N4O2.C10H20N2O/c1-6-22-16-28(21-9-13-26(5)14-10-21)18-24(3,30-22)23-17-27(15-19(2)29-23)20-7-11-25(4)12-8-20;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h19-23H,6-18H2,1-5H3;10H,2-9H2,1H3/t19-,22+,23-,24?;/m0./s1.
What are the key properties of (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
(6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine has a molecular weight of 606.94 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethyl-2-methyl-2-[(2S,6S)-6-methyl-4-(1-methylpiperidin-4-yl)morpholin-2-yl]-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine is sourced from PubChem (CID 145162344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).