[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride

C13H25ClN2O2 — CID 119781751

IUPAC[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
SMILESCOCC1CCCN(C(=O)C2(C)CCNC2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(5-6-14-10-13)12(16)15-7-3-4-11(8-15)9-17-2;/h11,14H,3-10H2,1-2H3;1H
InChIKeyALXYQCLPSVQSIF-UHFFFAOYSA-N
MW276.81 g/mol
LogP1.29
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride

[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride (PubChem CID 119781751) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
PubChem CID119781751
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
SMILESCOCC1CCCN(C(=O)C2(C)CCNC2)C1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(5-6-14-10-13)12(16)15-7-3-4-11(8-15)9-17-2;/h11,14H,3-10H2,1-2H3;1H
InChIKeyALXYQCLPSVQSIF-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

[3-(methoxymethyl)pyrrolidin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 64598501
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
(4-ethylpiperidin-4-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597488
N'-hydroxy-1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboximidamide
CID 106588198
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 81200158

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride (CID 119781751) is [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride is COCC1CCCN(C(=O)C2(C)CCNC2)C1.Cl.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
The InChIKey is ALXYQCLPSVQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-13(5-6-14-10-13)12(16)15-7-3-4-11(8-15)9-17-2;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride?
[3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119781751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).