[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride

C11H18ClN3O2 — CID 119423963

IUPAC[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(CN)CC2)on1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-6-10(16-13-8)11(15)14-4-2-9(7-12)3-5-14;/h6,9H,2-5,7,12H2,1H3;1H
InChIKeyVFTZEIZDVUSEFF-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.22
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride

[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride (PubChem CID 119423963) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
PubChem CID119423963
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(CN)CC2)on1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-6-10(16-13-8)11(15)14-4-2-9(7-12)3-5-14;/h6,9H,2-5,7,12H2,1H3;1H
InChIKeyVFTZEIZDVUSEFF-UHFFFAOYSA-N
XLogP1.22
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 63596014
(3-aminoazetidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 65244680
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 87017637
1-cyclohexyl-3-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]urea
CID 51092058
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
(3-methyl-1,2-oxazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984864
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride (CID 119423963) is [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCC(CN)CC2)on1.Cl.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride?
The InChIKey is VFTZEIZDVUSEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-8-6-10(16-13-8)11(15)14-4-2-9(7-12)3-5-14;/h6,9H,2-5,7,12H2,1H3;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119423963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).