6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine

C14H18FN3O — CID 56974031

IUPAC6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine
SMILESCCc1ccc2c(c1F)C(N)=NC1(CCNCC1)O2
InChIInChI=1S/C14H18FN3O/c1-2-9-3-4-10-11(12(9)15)13(16)18-14(19-10)5-7-17-8-6-14/h3-4,17H,2,5-8H2,1H3,(H2,16,18)
InChIKeyLJRZFUHOXDZPQG-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.57
Rot. Bonds1

About 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine

6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine (PubChem CID 56974031) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine
PubChem CID56974031
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine
SMILESCCc1ccc2c(c1F)C(N)=NC1(CCNCC1)O2
InChIInChI=1S/C14H18FN3O/c1-2-9-3-4-10-11(12(9)15)13(16)18-14(19-10)5-7-17-8-6-14/h3-4,17H,2,5-8H2,1H3,(H2,16,18)
InChIKeyLJRZFUHOXDZPQG-UHFFFAOYSA-N
XLogP1.57
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine?
The IUPAC name of 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine (CID 56974031) is 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine.
What is the SMILES notation for 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine?
The canonical SMILES for 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine is CCc1ccc2c(c1F)C(N)=NC1(CCNCC1)O2.
What is the InChIKey of 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine?
The InChIKey is LJRZFUHOXDZPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-9-3-4-10-11(12(9)15)13(16)18-14(19-10)5-7-17-8-6-14/h3-4,17H,2,5-8H2,1H3,(H2,16,18).
What are the key properties of 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine?
6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine has a molecular weight of 263.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluorospiro[1,3-benzoxazine-2,4'-piperidine]-4-amine is sourced from PubChem (CID 56974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).