methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate

C16H20FNO3 — CID 163392738

IUPACmethyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate
SMILESCOC(=O)CN1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C16H20FNO3/c1-20-15(19)11-18-8-6-16(7-9-18)5-4-12-10-13(17)2-3-14(12)21-16/h2-3,10H,4-9,11H2,1H3
InChIKeyWAGGQVUEEPGTLH-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.16
Rot. Bonds2

About methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate

methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate (PubChem CID 163392738) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate
PubChem CID163392738
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate
SMILESCOC(=O)CN1CCC2(CCc3cc(F)ccc3O2)CC1
InChIInChI=1S/C16H20FNO3/c1-20-15(19)11-18-8-6-16(7-9-18)5-4-12-10-13(17)2-3-14(12)21-16/h2-3,10H,4-9,11H2,1H3
InChIKeyWAGGQVUEEPGTLH-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate?
The IUPAC name of methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate (CID 163392738) is methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate.
What is the SMILES notation for methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate?
The canonical SMILES for methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate is COC(=O)CN1CCC2(CCc3cc(F)ccc3O2)CC1.
What is the InChIKey of methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate?
The InChIKey is WAGGQVUEEPGTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-15(19)11-18-8-6-16(7-9-18)5-4-12-10-13(17)2-3-14(12)21-16/h2-3,10H,4-9,11H2,1H3.
What are the key properties of methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate?
methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate has a molecular weight of 293.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)acetate is sourced from PubChem (CID 163392738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).