6-fluoro-3-piperidin-4-yl-1,2-benzoxazole

C12H13FN2O — CID 849421

IUPAC6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
SMILESFc1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyMRMGJMGHPJZSAE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.43
Rot. Bonds1

About 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole

6-fluoro-3-piperidin-4-yl-1,2-benzoxazole (PubChem CID 849421) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
PubChem CID849421
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
SMILESFc1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyMRMGJMGHPJZSAE-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazole-6-carboxamide
CID 10451362
3-Methyl-1,2-benzoxazole
CID 4068104
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-3-methylbenzenesulfonamide
CID 56933434
(E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]isoxazole
CID 9901561
3-(3-(1-Benzylpiperidin-4-yl)propyl)benzo[d]isoxazole
CID 10246305
R-56109 hydrochloride
CID 11334359
3-[2-(1-Benzylpiperidin-4-yl)ethyl]-6-cyclohexyl-1,2-benzoxazole
CID 53318265
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazole
CID 9836764
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-amine
CID 9945661
3-(2-(1-Benzylpiperidin-4-yl)ethyl)-5-methylbenzo[d]isoxazole
CID 9949561
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazole-6-carbonitrile
CID 10315567
6-Fluoro-3-[1-(3-phenoxypropyl)-4-piperidinyl]1,2-benzisoxazole
CID 10473320

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole (CID 849421) is 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole is Fc1ccc2c(C3CCNCC3)noc2c1.
What is the InChIKey of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
The InChIKey is MRMGJMGHPJZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2.
What are the key properties of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole?
6-fluoro-3-piperidin-4-yl-1,2-benzoxazole has a molecular weight of 220.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 849421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).