2-pyridin-4-ylmorpholine;dihydrochloride

C9H14Cl2N2O — CID 71692420

IUPAC2-pyridin-4-ylmorpholine;dihydrochloride
SMILESCl.Cl.c1cc(C2CNCCO2)ccn1
InChIInChI=1S/C9H12N2O.2ClH/c1-3-10-4-2-8(1)9-7-11-5-6-12-9;;/h1-4,9,11H,5-7H2;2*1H
InChIKeyUBJFLOFBPJWRKK-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.59
Rot. Bonds1

About 2-pyridin-4-ylmorpholine;dihydrochloride

2-pyridin-4-ylmorpholine;dihydrochloride (PubChem CID 71692420) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 2-pyridin-4-ylmorpholine;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-4-ylmorpholine;dihydrochloride
PubChem CID71692420
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name2-pyridin-4-ylmorpholine;dihydrochloride
SMILESCl.Cl.c1cc(C2CNCCO2)ccn1
InChIInChI=1S/C9H12N2O.2ClH/c1-3-10-4-2-8(1)9-7-11-5-6-12-9;;/h1-4,9,11H,5-7H2;2*1H
InChIKeyUBJFLOFBPJWRKK-UHFFFAOYSA-N
XLogP1.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylmorpholine;dihydrochloride?
The IUPAC name of 2-pyridin-4-ylmorpholine;dihydrochloride (CID 71692420) is 2-pyridin-4-ylmorpholine;dihydrochloride.
What is the SMILES notation for 2-pyridin-4-ylmorpholine;dihydrochloride?
The canonical SMILES for 2-pyridin-4-ylmorpholine;dihydrochloride is Cl.Cl.c1cc(C2CNCCO2)ccn1.
What is the InChIKey of 2-pyridin-4-ylmorpholine;dihydrochloride?
The InChIKey is UBJFLOFBPJWRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2ClH/c1-3-10-4-2-8(1)9-7-11-5-6-12-9;;/h1-4,9,11H,5-7H2;2*1H.
What are the key properties of 2-pyridin-4-ylmorpholine;dihydrochloride?
2-pyridin-4-ylmorpholine;dihydrochloride has a molecular weight of 237.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylmorpholine;dihydrochloride is sourced from PubChem (CID 71692420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).