2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride

C16H19ClN2O — CID 118741978

IUPAC2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride
SMILESCc1ccc(-c2ccc(C3CNCCO3)nc2)cc1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-2-4-13(5-3-12)14-6-7-15(18-10-14)16-11-17-8-9-19-16;/h2-7,10,16-17H,8-9,11H2,1H3;1H
InChIKeyJPVSYNNJRUVJHJ-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.14
Rot. Bonds2

About 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride

2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride (PubChem CID 118741978) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride
PubChem CID118741978
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride
SMILESCc1ccc(-c2ccc(C3CNCCO3)nc2)cc1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-2-4-13(5-3-12)14-6-7-15(18-10-14)16-11-17-8-9-19-16;/h2-7,10,16-17H,8-9,11H2,1H3;1H
InChIKeyJPVSYNNJRUVJHJ-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride?
The IUPAC name of 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride (CID 118741978) is 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride?
The canonical SMILES for 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride is Cc1ccc(-c2ccc(C3CNCCO3)nc2)cc1.Cl.
What is the InChIKey of 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride?
The InChIKey is JPVSYNNJRUVJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-12-2-4-13(5-3-12)14-6-7-15(18-10-14)16-11-17-8-9-19-16;/h2-7,10,16-17H,8-9,11H2,1H3;1H.
What are the key properties of 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride?
2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-2-pyridinyl]morpholine;hydrochloride is sourced from PubChem (CID 118741978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).