1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride

C14H24ClN3O2 — CID 119597065

IUPAC1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
SMILESCc1noc(C)c1CC(=O)N1CCCC(C)C1CN.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-9-5-4-6-17(13(9)8-15)14(18)7-12-10(2)16-19-11(12)3;/h9,13H,4-8,15H2,1-3H3;1H
InChIKeyFYBWVXLHVOYYIV-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride

1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride (PubChem CID 119597065) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
PubChem CID119597065
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
SMILESCc1noc(C)c1CC(=O)N1CCCC(C)C1CN.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-9-5-4-6-17(13(9)8-15)14(18)7-12-10(2)16-19-11(12)3;/h9,13H,4-8,15H2,1-3H3;1H
InChIKeyFYBWVXLHVOYYIV-UHFFFAOYSA-N
XLogP1.84
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 124696603
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124684633
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one;hydrochloride
CID 119632114
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430390
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124691824
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124696417
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56779603
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95341364
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 97001958
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124969312
1-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 95111667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride (CID 119597065) is 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride is Cc1noc(C)c1CC(=O)N1CCCC(C)C1CN.Cl.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
The InChIKey is FYBWVXLHVOYYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-9-5-4-6-17(13(9)8-15)14(18)7-12-10(2)16-19-11(12)3;/h9,13H,4-8,15H2,1-3H3;1H.
What are the key properties of 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride?
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 119597065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).