1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine

C14H17FN4O — CID 56770209

IUPAC1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C14H17FN4O/c15-11-4-1-3-10(7-11)14-17-13(20-18-14)9-19-6-2-5-12(16)8-19/h1,3-4,7,12H,2,5-6,8-9,16H2
InChIKeyAYHMFJZYDZOMQT-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.80
Rot. Bonds3

About 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine

1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (PubChem CID 56770209) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
PubChem CID56770209
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C14H17FN4O/c15-11-4-1-3-10(7-11)14-17-13(20-18-14)9-19-6-2-5-12(16)8-19/h1,3-4,7,12H,2,5-6,8-9,16H2
InChIKeyAYHMFJZYDZOMQT-UHFFFAOYSA-N
XLogP1.80
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 47028787
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
3-(3-chlorophenyl)-5-[[(3R)-3-phenylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 29084359
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
5-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 124751901
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 122565038
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43932890
[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43929878
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine (CID 56770209) is 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is NC1CCCN(Cc2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is AYHMFJZYDZOMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-4-1-3-10(7-11)14-17-13(20-18-14)9-19-6-2-5-12(16)8-19/h1,3-4,7,12H,2,5-6,8-9,16H2.
What are the key properties of 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine?
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 276.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 56770209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).