1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C13H25ClN2O3 — CID 119261251

IUPAC1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C2COCCO2)CC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-2-14-9-11-3-5-15(6-4-11)13(16)12-10-17-7-8-18-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyGTBFWCWWMFJRNR-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.67
Rot. Bonds4

About 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119261251) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119261251
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C2COCCO2)CC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-2-14-9-11-3-5-15(6-4-11)13(16)12-10-17-7-8-18-12;/h11-12,14H,2-10H2,1H3;1H
InChIKeyGTBFWCWWMFJRNR-UHFFFAOYSA-N
XLogP0.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114801433
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylcyclopropyl)methanone
CID 80552587
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
CID 113222366
N-[[1-(1,4-dioxane-2-carbonyl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 102557033
2,3-dihydro-1-benzofuran-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646983
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427982
[3-(chloromethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 63393242
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119261251) is 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)C2COCCO2)CC1.Cl.
What is the InChIKey of 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is GTBFWCWWMFJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-2-14-9-11-3-5-15(6-4-11)13(16)12-10-17-7-8-18-12;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119261251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).