lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate

C21H19FLiNO3 — CID 23721679

IUPAClithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate
SMILESO=C([O-])CN1CCC2(C=C(c3ccc(F)cc3)c3ccccc3O2)CC1.[Li+]
InChIInChI=1S/C21H20FNO3.Li/c22-16-7-5-15(6-8-16)18-13-21(26-19-4-2-1-3-17(18)19)9-11-23(12-10-21)14-20(24)25;/h1-8,13H,9-12,14H2,(H,24,25);/q;+1/p-1
InChIKeyDEZYNMMQUNLNDZ-UHFFFAOYSA-M
MW359.33 g/mol
LogP-0.76
Rot. Bonds3

About lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate

lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate (PubChem CID 23721679) has the molecular formula C21H19FLiNO3 and a molecular weight of 359.33 g/mol. Its IUPAC name is lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate.

Molecular Properties

Compound Namelithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate
PubChem CID23721679
Molecular FormulaC21H19FLiNO3
Molecular Weight359.33 g/mol
Exact Mass359.15
IUPAC Namelithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate
SMILESO=C([O-])CN1CCC2(C=C(c3ccc(F)cc3)c3ccccc3O2)CC1.[Li+]
InChIInChI=1S/C21H20FNO3.Li/c22-16-7-5-15(6-8-16)18-13-21(26-19-4-2-1-3-17(18)19)9-11-23(12-10-21)14-20(24)25;/h1-8,13H,9-12,14H2,(H,24,25);/q;+1/p-1
InChIKeyDEZYNMMQUNLNDZ-UHFFFAOYSA-M
XLogP-0.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate?
The IUPAC name of lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate (CID 23721679) is lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate.
What is the SMILES notation for lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate?
The canonical SMILES for lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate is O=C([O-])CN1CCC2(C=C(c3ccc(F)cc3)c3ccccc3O2)CC1.[Li+].
What is the InChIKey of lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate?
The InChIKey is DEZYNMMQUNLNDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20FNO3.Li/c22-16-7-5-15(6-8-16)18-13-21(26-19-4-2-1-3-17(18)19)9-11-23(12-10-21)14-20(24)25;/h1-8,13H,9-12,14H2,(H,24,25);/q;+1/p-1.
What are the key properties of lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate?
lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate has a molecular weight of 359.33 g/mol, XLogP of -0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate is sourced from PubChem (CID 23721679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).