2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride

C11H26Cl2N2O2 — CID 47000643

IUPAC2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride
SMILESCC1CN(C2CCNCC2)CC(C)O1.Cl.Cl.O
InChIInChI=1S/C11H22N2O.2ClH.H2O/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;;;/h9-12H,3-8H2,1-2H3;2*1H;1H2
InChIKeySYYXYSXGKAHZLU-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.87
Rot. Bonds1

About 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride

2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride (PubChem CID 47000643) has the molecular formula C11H26Cl2N2O2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride
PubChem CID47000643
Molecular FormulaC11H26Cl2N2O2
Molecular Weight289.25 g/mol
Exact Mass288.14
IUPAC Name2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride
SMILESCC1CN(C2CCNCC2)CC(C)O1.Cl.Cl.O
InChIInChI=1S/C11H22N2O.2ClH.H2O/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;;;/h9-12H,3-8H2,1-2H3;2*1H;1H2
InChIKeySYYXYSXGKAHZLU-UHFFFAOYSA-N
XLogP0.87
TPSA56.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067
3,5-dimethyl-1-piperidin-4-ylpiperidine;ethane
CID 143377643
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
4-cyclododecyl-2-methyl-6-(trideuteriomethyl)morpholine
CID 169436923
(2R,6S)-4-(3,5-dimethylpiperidin-4-yl)-2,6-dimethylmorpholine
CID 165463507
5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022405
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
4-cyclodecyl-2,6-dimethylmorpholine acetate
CID 21278745
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-piperidin-4-ylazetidine-3-carboxamide;dihydrochloride
CID 155973109
2,6-dimethyl-4-(3-methylcyclohexyl)morpholine
CID 2846634
3-methyl-1-piperidin-4-ylpiperidine
CID 2760044

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride?
The IUPAC name of 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride (CID 47000643) is 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride.
What is the SMILES notation for 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride?
The canonical SMILES for 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride is CC1CN(C2CCNCC2)CC(C)O1.Cl.Cl.O.
What is the InChIKey of 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride?
The InChIKey is SYYXYSXGKAHZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.2ClH.H2O/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;;;/h9-12H,3-8H2,1-2H3;2*1H;1H2.
What are the key properties of 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride?
2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-piperidin-4-ylmorpholine;hydrate;dihydrochloride is sourced from PubChem (CID 47000643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).