1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride

C14H27ClN2O2 — CID 119698721

IUPAC1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(C)C2CCCNC2)CCO1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11(13-4-3-5-15-9-13)8-14(17)16-6-7-18-12(2)10-16;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyLFZFUOHGYNGGEN-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride

1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride (PubChem CID 119698721) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
PubChem CID119698721
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(C)C2CCCNC2)CCO1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-11(13-4-3-5-15-9-13)8-14(17)16-6-7-18-12(2)10-16;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyLFZFUOHGYNGGEN-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703775
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
3-piperidin-3-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119880994
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119894294
1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119881066
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride (CID 119698721) is 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride is CC1CN(C(=O)CC(C)C2CCCNC2)CCO1.Cl.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
The InChIKey is LFZFUOHGYNGGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-11(13-4-3-5-15-9-13)8-14(17)16-6-7-18-12(2)10-16;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride?
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride has a molecular weight of 290.83 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119698721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).