6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol

C13H17FN2O2 — CID 174584995

IUPAC6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol
SMILESCN1c2ccc(F)cc2C2(CCNCC2)OC1O
InChIInChI=1S/C13H17FN2O2/c1-16-11-3-2-9(14)8-10(11)13(18-12(16)17)4-6-15-7-5-13/h2-3,8,12,15,17H,4-7H2,1H3
InChIKeyUTWVKKOTLKYYNQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.15
Rot. Bonds

About 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol

6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol (PubChem CID 174584995) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol.

Molecular Properties

Compound Name6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol
PubChem CID174584995
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol
SMILESCN1c2ccc(F)cc2C2(CCNCC2)OC1O
InChIInChI=1S/C13H17FN2O2/c1-16-11-3-2-9(14)8-10(11)13(18-12(16)17)4-6-15-7-5-13/h2-3,8,12,15,17H,4-7H2,1H3
InChIKeyUTWVKKOTLKYYNQ-UHFFFAOYSA-N
XLogP1.15
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol?
The IUPAC name of 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol (CID 174584995) is 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol.
What is the SMILES notation for 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol?
The canonical SMILES for 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol is CN1c2ccc(F)cc2C2(CCNCC2)OC1O.
What is the InChIKey of 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol?
The InChIKey is UTWVKKOTLKYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16-11-3-2-9(14)8-10(11)13(18-12(16)17)4-6-15-7-5-13/h2-3,8,12,15,17H,4-7H2,1H3.
What are the key properties of 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol?
6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol has a molecular weight of 252.29 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylspiro[2H-3,1-benzoxazine-4,4'-piperidine]-2-ol is sourced from PubChem (CID 174584995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).