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

C14H17FN4O — CID 43556594

IUPAC1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C14H17FN4O/c15-11-3-1-10(2-4-11)14-18-17-13(20-14)9-19-7-5-12(16)6-8-19/h1-4,12H,5-9,16H2
InChIKeyMGRMUJYNLADVOR-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.80
Rot. Bonds3

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

1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine (PubChem CID 43556594) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
PubChem CID43556594
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C14H17FN4O/c15-11-3-1-10(2-4-11)14-18-17-13(20-14)9-19-7-5-12(16)6-8-19/h1-4,12H,5-9,16H2
InChIKeyMGRMUJYNLADVOR-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-[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]imidazolidin-2-one
CID 56815838
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
CID 80701819
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65447710
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312862
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carbaldehyde
CID 62654115
2-(4-fluorophenyl)-5-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78836240

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine (CID 43556594) is 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine is NC1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine?
The InChIKey is MGRMUJYNLADVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-3-1-10(2-4-11)14-18-17-13(20-14)9-19-7-5-12(16)6-8-19/h1-4,12H,5-9,16H2.
What are the key properties of 1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine?
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-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-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 43556594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).