2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride

C14H20ClNO2 — CID 2848212

IUPAC2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride
SMILESCC(CN1CCOCC1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-12(11-15-7-9-17-10-8-15)14(16)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKeyKPPFBGUGWVJHKT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride

2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride (PubChem CID 2848212) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride
PubChem CID2848212
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride
SMILESCC(CN1CCOCC1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-12(11-15-7-9-17-10-8-15)14(16)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H
InChIKeyKPPFBGUGWVJHKT-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride (CID 2848212) is 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride is CC(CN1CCOCC1)C(=O)c1ccccc1.Cl.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride?
The InChIKey is KPPFBGUGWVJHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-12(11-15-7-9-17-10-8-15)14(16)13-5-3-2-4-6-13;/h2-6,12H,7-11H2,1H3;1H.
What are the key properties of 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride?
2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 2848212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).