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

C16H22Cl3N3O — CID 119924998

IUPAC1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
SMILESCC1CN(Cc2ncc(-c3cccc(Cl)c3)o2)CCC1N.Cl.Cl
InChIInChI=1S/C16H20ClN3O.2ClH/c1-11-9-20(6-5-14(11)18)10-16-19-8-15(21-16)12-3-2-4-13(17)7-12;;/h2-4,7-8,11,14H,5-6,9-10,18H2,1H3;2*1H
InChIKeyZLZWDKROKFFBET-UHFFFAOYSA-N
MW378.73 g/mol
LogP4.01
Rot. Bonds3

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

1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride (PubChem CID 119924998) has the molecular formula C16H22Cl3N3O and a molecular weight of 378.73 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
PubChem CID119924998
Molecular FormulaC16H22Cl3N3O
Molecular Weight378.73 g/mol
Exact Mass377.08
IUPAC Name1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride
SMILESCC1CN(Cc2ncc(-c3cccc(Cl)c3)o2)CCC1N.Cl.Cl
InChIInChI=1S/C16H20ClN3O.2ClH/c1-11-9-20(6-5-14(11)18)10-16-19-8-15(21-16)12-3-2-4-13(17)7-12;;/h2-4,7-8,11,14H,5-6,9-10,18H2,1H3;2*1H
InChIKeyZLZWDKROKFFBET-UHFFFAOYSA-N
XLogP4.01
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.73
LogP ≤ 54.01
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-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride (CID 119924998) is 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride is CC1CN(Cc2ncc(-c3cccc(Cl)c3)o2)CCC1N.Cl.Cl.
What is the InChIKey of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is ZLZWDKROKFFBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O.2ClH/c1-11-9-20(6-5-14(11)18)10-16-19-8-15(21-16)12-3-2-4-13(17)7-12;;/h2-4,7-8,11,14H,5-6,9-10,18H2,1H3;2*1H.
What are the key properties of 1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride?
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 378.73 g/mol, XLogP of 4.01, 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-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 119924998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).