2-(oxan-4-yl)morpholine;hydrochloride

C9H18ClNO2 — CID 139026622

IUPAC2-(oxan-4-yl)morpholine;hydrochloride
SMILESC1COC(C2CCOCC2)CN1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-4-11-5-2-8(1)9-7-10-3-6-12-9;/h8-10H,1-7H2;1H
InChIKeyVQNFUEFFJVUMFW-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.82
Rot. Bonds1

About 2-(oxan-4-yl)morpholine;hydrochloride

2-(oxan-4-yl)morpholine;hydrochloride (PubChem CID 139026622) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(oxan-4-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name2-(oxan-4-yl)morpholine;hydrochloride
PubChem CID139026622
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-(oxan-4-yl)morpholine;hydrochloride
SMILESC1COC(C2CCOCC2)CN1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-4-11-5-2-8(1)9-7-10-3-6-12-9;/h8-10H,1-7H2;1H
InChIKeyVQNFUEFFJVUMFW-UHFFFAOYSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)morpholine;hydrochloride?
The IUPAC name of 2-(oxan-4-yl)morpholine;hydrochloride (CID 139026622) is 2-(oxan-4-yl)morpholine;hydrochloride.
What is the SMILES notation for 2-(oxan-4-yl)morpholine;hydrochloride?
The canonical SMILES for 2-(oxan-4-yl)morpholine;hydrochloride is C1COC(C2CCOCC2)CN1.Cl.
What is the InChIKey of 2-(oxan-4-yl)morpholine;hydrochloride?
The InChIKey is VQNFUEFFJVUMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-4-11-5-2-8(1)9-7-10-3-6-12-9;/h8-10H,1-7H2;1H.
What are the key properties of 2-(oxan-4-yl)morpholine;hydrochloride?
2-(oxan-4-yl)morpholine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)morpholine;hydrochloride is sourced from PubChem (CID 139026622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).