4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole

C21H40N4OS — CID 160756852

IUPAC4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole
SMILESCN1CCC(Cc2nccs2)CC1.CN1CCCCC1.CN1CCOCC1
InChIInChI=1S/C10H16N2S.C6H13N.C5H11NO/c1-12-5-2-9(3-6-12)8-10-11-4-7-13-10;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h4,7,9H,2-3,5-6,8H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyRXNVQLJCBXSIPM-UHFFFAOYSA-N
MW396.65 g/mol
LogP3.08
Rot. Bonds2

About 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole

4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole (PubChem CID 160756852) has the molecular formula C21H40N4OS and a molecular weight of 396.65 g/mol. Its IUPAC name is 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole
PubChem CID160756852
Molecular FormulaC21H40N4OS
Molecular Weight396.65 g/mol
Exact Mass396.29
IUPAC Name4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole
SMILESCN1CCC(Cc2nccs2)CC1.CN1CCCCC1.CN1CCOCC1
InChIInChI=1S/C10H16N2S.C6H13N.C5H11NO/c1-12-5-2-9(3-6-12)8-10-11-4-7-13-10;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h4,7,9H,2-3,5-6,8H2,1H3;2-6H2,1H3;2-5H2,1H3
InChIKeyRXNVQLJCBXSIPM-UHFFFAOYSA-N
XLogP3.08
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole (CID 160756852) is 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole is CN1CCC(Cc2nccs2)CC1.CN1CCCCC1.CN1CCOCC1.
What is the InChIKey of 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole?
The InChIKey is RXNVQLJCBXSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.C6H13N.C5H11NO/c1-12-5-2-9(3-6-12)8-10-11-4-7-13-10;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6/h4,7,9H,2-3,5-6,8H2,1H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole?
4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole has a molecular weight of 396.65 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;1-methylpiperidine;2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 160756852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).