methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol

C12H24N2O3 — CID 68837154

IUPACmethoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol
SMILESCOC(O)(C1CCN(C)CC1)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-13-5-3-11(4-6-13)12(15,16-2)14-7-9-17-10-8-14/h11,15H,3-10H2,1-2H3
InChIKeyPTKPHHBANQFQDS-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.05
Rot. Bonds3

About methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol

methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol (PubChem CID 68837154) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol.

Molecular Properties

Compound Namemethoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol
PubChem CID68837154
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol
SMILESCOC(O)(C1CCN(C)CC1)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-13-5-3-11(4-6-13)12(15,16-2)14-7-9-17-10-8-14/h11,15H,3-10H2,1-2H3
InChIKeyPTKPHHBANQFQDS-UHFFFAOYSA-N
XLogP-0.05
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol?
The IUPAC name of methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol (CID 68837154) is methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol.
What is the SMILES notation for methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol?
The canonical SMILES for methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol is COC(O)(C1CCN(C)CC1)N1CCOCC1.
What is the InChIKey of methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol?
The InChIKey is PTKPHHBANQFQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-13-5-3-11(4-6-13)12(15,16-2)14-7-9-17-10-8-14/h11,15H,3-10H2,1-2H3.
What are the key properties of methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol?
methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol has a molecular weight of 244.33 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(1-methylpiperidin-4-yl)-morpholin-4-ylmethanol is sourced from PubChem (CID 68837154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).