[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

C15H29ClN2O2 — CID 120633122

IUPAC[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESCCOCC1CCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-3-19-11-13-5-4-8-17(10-13)15(18)14-6-7-16-12(2)9-14;/h12-14,16H,3-11H2,1-2H3;1H/t12-,13?,14-;/m0./s1
InChIKeyGDXSMPHFIGZVFM-CGTXZGBVSA-N
MW304.86 g/mol
LogP2.07
Rot. Bonds4

About [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride

[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (PubChem CID 120633122) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
PubChem CID120633122
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
SMILESCCOCC1CCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-3-19-11-13-5-4-8-17(10-13)15(18)14-6-7-16-12(2)9-14;/h12-14,16H,3-11H2,1-2H3;1H/t12-,13?,14-;/m0./s1
InChIKeyGDXSMPHFIGZVFM-CGTXZGBVSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
CID 124683875
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 119786515

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride (CID 120633122) is [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is CCOCC1CCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1.Cl.
What is the InChIKey of [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
The InChIKey is GDXSMPHFIGZVFM-CGTXZGBVSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-3-19-11-13-5-4-8-17(10-13)15(18)14-6-7-16-12(2)9-14;/h12-14,16H,3-11H2,1-2H3;1H/t12-,13?,14-;/m0./s1.
What are the key properties of [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride?
[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120633122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).