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

C23H46N4O2 — CID 145162347

IUPAC(2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
SMILESCC[C@@H]1CN(C2CCN(C)CC2)C[C@H](C)O1.CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H26N2O.C10H20N2O/c1-4-13-10-15(9-11(2)16-13)12-5-7-14(3)8-6-12;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h11-13H,4-10H2,1-3H3;10H,2-9H2,1H3/t11-,13+;/m0./s1
InChIKeyQOLROXLKODYSNX-STEACBGWSA-N
MW410.65 g/mol
LogP1.99
Rot. Bonds3

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

(2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine (PubChem CID 145162347) has the molecular formula C23H46N4O2 and a molecular weight of 410.65 g/mol. Its IUPAC name is (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
PubChem CID145162347
Molecular FormulaC23H46N4O2
Molecular Weight410.65 g/mol
Exact Mass410.36
IUPAC Name(2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine
SMILESCC[C@@H]1CN(C2CCN(C)CC2)C[C@H](C)O1.CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H26N2O.C10H20N2O/c1-4-13-10-15(9-11(2)16-13)12-5-7-14(3)8-6-12;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h11-13H,4-10H2,1-3H3;10H,2-9H2,1H3/t11-,13+;/m0./s1
InChIKeyQOLROXLKODYSNX-STEACBGWSA-N
XLogP1.99
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
The IUPAC name of (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine (CID 145162347) is (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
The canonical SMILES for (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine is CC[C@@H]1CN(C2CCN(C)CC2)C[C@H](C)O1.CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
The InChIKey is QOLROXLKODYSNX-STEACBGWSA-N. The full InChI is InChI=1S/C13H26N2O.C10H20N2O/c1-4-13-10-15(9-11(2)16-13)12-5-7-14(3)8-6-12;1-11-4-2-10(3-5-11)12-6-8-13-9-7-12/h11-13H,4-10H2,1-3H3;10H,2-9H2,1H3/t11-,13+;/m0./s1.
What are the key properties of (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine?
(2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine has a molecular weight of 410.65 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethyl-6-methyl-4-(1-methylpiperidin-4-yl)morpholine;4-(1-methylpiperidin-4-yl)morpholine is sourced from PubChem (CID 145162347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).