1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine

C14H18FN3O — CID 71048520

IUPAC1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(F)c(N3CCCCC3)cc2o1
InChIInChI=1S/C14H18FN3O/c1-16-9-14-17-11-7-10(15)12(8-13(11)19-14)18-5-3-2-4-6-18/h7-8,16H,2-6,9H2,1H3
InChIKeyZIMFDNHLKLKURF-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine

1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine (PubChem CID 71048520) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
PubChem CID71048520
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2cc(F)c(N3CCCCC3)cc2o1
InChIInChI=1S/C14H18FN3O/c1-16-9-14-17-11-7-10(15)12(8-13(11)19-14)18-5-3-2-4-6-18/h7-8,16H,2-6,9H2,1H3
InChIKeyZIMFDNHLKLKURF-UHFFFAOYSA-N
XLogP2.68
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine (CID 71048520) is 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine is CNCc1nc2cc(F)c(N3CCCCC3)cc2o1.
What is the InChIKey of 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
The InChIKey is ZIMFDNHLKLKURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-9-14-17-11-7-10(15)12(8-13(11)19-14)18-5-3-2-4-6-18/h7-8,16H,2-6,9H2,1H3.
What are the key properties of 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine?
1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 71048520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).