[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

C12H23ClN2O2 — CID 119319211

IUPAC[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCOCC1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-16-9-10-4-7-14(8-5-10)12(15)11-3-2-6-13-11;/h10-11,13H,2-9H2,1H3;1H/t11-;/m0./s1
InChIKeyXBWJLFAUMFWUFJ-MERQFXBCSA-N
MW262.78 g/mol
LogP1.05
Rot. Bonds3

About [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 119319211) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
PubChem CID119319211
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCOCC1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-16-9-10-4-7-14(8-5-10)12(15)11-3-2-6-13-11;/h10-11,13H,2-9H2,1H3;1H/t11-;/m0./s1
InChIKeyXBWJLFAUMFWUFJ-MERQFXBCSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 94372824
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (CID 119319211) is [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is COCC1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.
What is the InChIKey of [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is XBWJLFAUMFWUFJ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-16-9-10-4-7-14(8-5-10)12(15)11-3-2-6-13-11;/h10-11,13H,2-9H2,1H3;1H/t11-;/m0./s1.
What are the key properties of [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119319211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).