[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride

C17H22ClN3O2 — CID 119520922

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-12(18)13-7-9-20(10-8-13)17(21)15-11-22-16(19-15)14-5-3-2-4-6-14;/h2-6,11-13H,7-10,18H2,1H3;1H
InChIKeyWYPJEQLOWWYSHN-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.96
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride (PubChem CID 119520922) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
PubChem CID119520922
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-12(18)13-7-9-20(10-8-13)17(21)15-11-22-16(19-15)14-5-3-2-4-6-14;/h2-6,11-13H,7-10,18H2,1H3;1H
InChIKeyWYPJEQLOWWYSHN-UHFFFAOYSA-N
XLogP2.96
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119542389
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119516712
(2-phenyl-1,3-oxazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996015
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 120659449
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
2-methyl-3-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10127230

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride (CID 119520922) is [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride is CC(N)C1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
The InChIKey is WYPJEQLOWWYSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-12(18)13-7-9-20(10-8-13)17(21)15-11-22-16(19-15)14-5-3-2-4-6-14;/h2-6,11-13H,7-10,18H2,1H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119520922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).