4-benzylmorpholine;hydrochloride

C11H16ClNO — CID 2849468

IUPAC4-benzylmorpholine;hydrochloride
SMILESCl.c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;/h1-5H,6-10H2;1H
InChIKeyOXRHXRSANQSWEZ-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.94
Rot. Bonds2

About 4-benzylmorpholine;hydrochloride

4-benzylmorpholine;hydrochloride (PubChem CID 2849468) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-benzylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-benzylmorpholine;hydrochloride
PubChem CID2849468
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-benzylmorpholine;hydrochloride
SMILESCl.c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;/h1-5H,6-10H2;1H
InChIKeyOXRHXRSANQSWEZ-UHFFFAOYSA-N
XLogP1.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine;hydrochloride?
The IUPAC name of 4-benzylmorpholine;hydrochloride (CID 2849468) is 4-benzylmorpholine;hydrochloride.
What is the SMILES notation for 4-benzylmorpholine;hydrochloride?
The canonical SMILES for 4-benzylmorpholine;hydrochloride is Cl.c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-benzylmorpholine;hydrochloride?
The InChIKey is OXRHXRSANQSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;/h1-5H,6-10H2;1H.
What are the key properties of 4-benzylmorpholine;hydrochloride?
4-benzylmorpholine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylmorpholine;hydrochloride is sourced from PubChem (CID 2849468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).