1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride

C18H26ClN3O — CID 119911451

IUPAC1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCc1ccc(-c2nc(CN3CCCCC3C(C)N)co2)cc1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-6-8-15(9-7-13)18-20-16(12-22-18)11-21-10-4-3-5-17(21)14(2)19;/h6-9,12,14,17H,3-5,10-11,19H2,1-2H3;1H
InChIKeyWHXPGBWEGRMWEK-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.77
Rot. Bonds4

About 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride

1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119911451) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119911451
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCc1ccc(-c2nc(CN3CCCCC3C(C)N)co2)cc1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-13-6-8-15(9-7-13)18-20-16(12-22-18)11-21-10-4-3-5-17(21)14(2)19;/h6-9,12,14,17H,3-5,10-11,19H2,1-2H3;1H
InChIKeyWHXPGBWEGRMWEK-UHFFFAOYSA-N
XLogP3.77
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride (CID 119911451) is 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride is Cc1ccc(-c2nc(CN3CCCCC3C(C)N)co2)cc1.Cl.
What is the InChIKey of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is WHXPGBWEGRMWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-13-6-8-15(9-7-13)18-20-16(12-22-18)11-21-10-4-3-5-17(21)14(2)19;/h6-9,12,14,17H,3-5,10-11,19H2,1-2H3;1H.
What are the key properties of 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119911451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).