2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride

C13H24ClNO2 — CID 134117838

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride
SMILESCC1CN(CC2CCCCC2=O)CC(C)O1.Cl
InChIInChI=1S/C13H23NO2.ClH/c1-10-7-14(8-11(2)16-10)9-12-5-3-4-6-13(12)15;/h10-12H,3-9H2,1-2H3;1H
InChIKeyUFRBXMZVAMSXHA-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.28
Rot. Bonds2

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride

2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride (PubChem CID 134117838) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride
PubChem CID134117838
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride
SMILESCC1CN(CC2CCCCC2=O)CC(C)O1.Cl
InChIInChI=1S/C13H23NO2.ClH/c1-10-7-14(8-11(2)16-10)9-12-5-3-4-6-13(12)15;/h10-12H,3-9H2,1-2H3;1H
InChIKeyUFRBXMZVAMSXHA-UHFFFAOYSA-N
XLogP2.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
2-(1,2,5-dithiazepan-5-ylmethyl)cyclohexan-1-one
CID 131154504
2-[(4-propan-2-ylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 103502471
2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
CID 103131716
(5S)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-2-one
CID 67157650
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 63007742
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 55133325
2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966895
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one
CID 102933584
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cycloheptan-1-one
CID 63160155

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride (CID 134117838) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride is CC1CN(CC2CCCCC2=O)CC(C)O1.Cl.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride?
The InChIKey is UFRBXMZVAMSXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2.ClH/c1-10-7-14(8-11(2)16-10)9-12-5-3-4-6-13(12)15;/h10-12H,3-9H2,1-2H3;1H.
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride?
2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 134117838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).