5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine

C12H15FN4 — CID 21192770

IUPAC5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCNCC2)Nc2cccc(F)c21
InChIInChI=1S/C12H15FN4/c13-8-2-1-3-9-10(8)11(14)17-12(16-9)4-6-15-7-5-12/h1-3,15-16H,4-7H2,(H2,14,17)
InChIKeyRUZOQNAMPCLLFI-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.04
Rot. Bonds

About 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine

5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine (PubChem CID 21192770) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine
PubChem CID21192770
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESNC1=NC2(CCNCC2)Nc2cccc(F)c21
InChIInChI=1S/C12H15FN4/c13-8-2-1-3-9-10(8)11(14)17-12(16-9)4-6-15-7-5-12/h1-3,15-16H,4-7H2,(H2,14,17)
InChIKeyRUZOQNAMPCLLFI-UHFFFAOYSA-N
XLogP1.04
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The IUPAC name of 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine (CID 21192770) is 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine.
What is the SMILES notation for 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The canonical SMILES for 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine is NC1=NC2(CCNCC2)Nc2cccc(F)c21.
What is the InChIKey of 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The InChIKey is RUZOQNAMPCLLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c13-8-2-1-3-9-10(8)11(14)17-12(16-9)4-6-15-7-5-12/h1-3,15-16H,4-7H2,(H2,14,17).
What are the key properties of 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine?
5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine has a molecular weight of 234.28 g/mol, XLogP of 1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[1H-quinazoline-2,4'-piperidine]-4-amine is sourced from PubChem (CID 21192770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).