8-fluoro-4-piperidin-3-ylquinazoline

C13H14FN3 — CID 105489373

IUPAC8-fluoro-4-piperidin-3-ylquinazoline
SMILESFc1cccc2c(C3CCCNC3)ncnc12
InChIInChI=1S/C13H14FN3/c14-11-5-1-4-10-12(16-8-17-13(10)11)9-3-2-6-15-7-9/h1,4-5,8-9,15H,2-3,6-7H2
InChIKeyYIRVFIUZELUMPW-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.24
Rot. Bonds1

About 8-fluoro-4-piperidin-3-ylquinazoline

8-fluoro-4-piperidin-3-ylquinazoline (PubChem CID 105489373) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 8-fluoro-4-piperidin-3-ylquinazoline.

Molecular Properties

Compound Name8-fluoro-4-piperidin-3-ylquinazoline
PubChem CID105489373
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name8-fluoro-4-piperidin-3-ylquinazoline
SMILESFc1cccc2c(C3CCCNC3)ncnc12
InChIInChI=1S/C13H14FN3/c14-11-5-1-4-10-12(16-8-17-13(10)11)9-3-2-6-15-7-9/h1,4-5,8-9,15H,2-3,6-7H2
InChIKeyYIRVFIUZELUMPW-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-4-piperidin-3-ylquinazoline
CID 105489378
1-piperidin-3-ylisoquinoline
CID 84782419
2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
CID 84632385
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
1-methyl-3-piperidin-3-ylindazol-7-amine
CID 175889087
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-piperidin-3-ylquinazoline?
The IUPAC name of 8-fluoro-4-piperidin-3-ylquinazoline (CID 105489373) is 8-fluoro-4-piperidin-3-ylquinazoline.
What is the SMILES notation for 8-fluoro-4-piperidin-3-ylquinazoline?
The canonical SMILES for 8-fluoro-4-piperidin-3-ylquinazoline is Fc1cccc2c(C3CCCNC3)ncnc12.
What is the InChIKey of 8-fluoro-4-piperidin-3-ylquinazoline?
The InChIKey is YIRVFIUZELUMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-5-1-4-10-12(16-8-17-13(10)11)9-3-2-6-15-7-9/h1,4-5,8-9,15H,2-3,6-7H2.
What are the key properties of 8-fluoro-4-piperidin-3-ylquinazoline?
8-fluoro-4-piperidin-3-ylquinazoline has a molecular weight of 231.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-piperidin-3-ylquinazoline is sourced from PubChem (CID 105489373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).