2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride

C13H25ClN2O2 — CID 22314796

IUPAC2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride
SMILESCC(C)(C(=O)N1CCOCC1)C1CCNCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(2,11-3-5-14-6-4-11)12(16)15-7-9-17-10-8-15;/h11,14H,3-10H2,1-2H3;1H
InChIKeyMYRANVUQMKEJIQ-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride

2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride (PubChem CID 22314796) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride
PubChem CID22314796
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride
SMILESCC(C)(C(=O)N1CCOCC1)C1CCNCC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(2,11-3-5-14-6-4-11)12(16)15-7-9-17-10-8-15;/h11,14H,3-10H2,1-2H3;1H
InChIKeyMYRANVUQMKEJIQ-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride (CID 22314796) is 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride is CC(C)(C(=O)N1CCOCC1)C1CCNCC1.Cl.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride?
The InChIKey is MYRANVUQMKEJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-13(2,11-3-5-14-6-4-11)12(16)15-7-9-17-10-8-15;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride?
2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-2-piperidin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 22314796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).