1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride

C17H24Cl3N3O — CID 120774108

IUPAC1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
SMILESCC1(C)CN(Cc2ncc(-c3cccc(Cl)c3)o2)CCC1N.Cl.Cl
InChIInChI=1S/C17H22ClN3O.2ClH/c1-17(2)11-21(7-6-15(17)19)10-16-20-9-14(22-16)12-4-3-5-13(18)8-12;;/h3-5,8-9,15H,6-7,10-11,19H2,1-2H3;2*1H
InChIKeyWIPQJBSYNYVOIU-UHFFFAOYSA-N
MW392.76 g/mol
LogP4.40
Rot. Bonds3

About 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride

1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride (PubChem CID 120774108) has the molecular formula C17H24Cl3N3O and a molecular weight of 392.76 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
PubChem CID120774108
Molecular FormulaC17H24Cl3N3O
Molecular Weight392.76 g/mol
Exact Mass391.10
IUPAC Name1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
SMILESCC1(C)CN(Cc2ncc(-c3cccc(Cl)c3)o2)CCC1N.Cl.Cl
InChIInChI=1S/C17H22ClN3O.2ClH/c1-17(2)11-21(7-6-15(17)19)10-16-20-9-14(22-16)12-4-3-5-13(18)8-12;;/h3-5,8-9,15H,6-7,10-11,19H2,1-2H3;2*1H
InChIKeyWIPQJBSYNYVOIU-UHFFFAOYSA-N
XLogP4.40
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.76
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride (CID 120774108) is 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride is CC1(C)CN(Cc2ncc(-c3cccc(Cl)c3)o2)CCC1N.Cl.Cl.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride?
The InChIKey is WIPQJBSYNYVOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O.2ClH/c1-17(2)11-21(7-6-15(17)19)10-16-20-9-14(22-16)12-4-3-5-13(18)8-12;;/h3-5,8-9,15H,6-7,10-11,19H2,1-2H3;2*1H.
What are the key properties of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride?
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride has a molecular weight of 392.76 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 120774108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).