3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C20H23FN4O — CID 46970111

IUPAC3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H23FN4O/c1-24(2)20-15(4-3-9-22-20)13-25-10-7-14(8-11-25)19-17-6-5-16(21)12-18(17)26-23-19/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3
InChIKeyPBMORISVHVGGGA-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.81
Rot. Bonds4

About 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 46970111) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID46970111
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C20H23FN4O/c1-24(2)20-15(4-3-9-22-20)13-25-10-7-14(8-11-25)19-17-6-5-16(21)12-18(17)26-23-19/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3
InChIKeyPBMORISVHVGGGA-UHFFFAOYSA-N
XLogP3.81
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 46970111) is 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1CN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is PBMORISVHVGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-24(2)20-15(4-3-9-22-20)13-25-10-7-14(8-11-25)19-17-6-5-16(21)12-18(17)26-23-19/h3-6,9,12,14H,7-8,10-11,13H2,1-2H3.
What are the key properties of 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 354.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 46970111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).