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

C15H19FN4O — CID 63641803

IUPACN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCCNC1
InChIInChI=1S/C15H19FN4O/c1-20(13-3-2-8-17-9-13)10-14-18-19-15(21-14)11-4-6-12(16)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyJUJYYJJQAWLMFP-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.06
Rot. Bonds4

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

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 63641803) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID63641803
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCCNC1
InChIInChI=1S/C15H19FN4O/c1-20(13-3-2-8-17-9-13)10-14-18-19-15(21-14)11-4-6-12(16)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyJUJYYJJQAWLMFP-UHFFFAOYSA-N
XLogP2.06
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
5-(2-Chlorophenyl)-N-(1-methylethyl)-1,3,4-oxadiazole-2-methanamine
CID 4961735
1-Ethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 8071224
2-Phenyl-5-(piperidylmethyl)-1,3,4-oxadiazole, chloride
CID 18775228
1-(5-Phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 600190
[2-(4-Chlorophenyl)ethyl][(2-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-YL)methyl]amine
CID 15990192
1-Diphenylmethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 16195156
oxalic acid;N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16196763
1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931
Ethyl 4-{[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}piperazine-1-carboxylate
CID 24761525
(R)-1-(2-fluorophenyl)-4-((S)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487907
benzyl N-[(1S)-2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 118722858

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine (CID 63641803) is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine is CN(Cc1nnc(-c2ccc(F)cc2)o1)C1CCCNC1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is JUJYYJJQAWLMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-20(13-3-2-8-17-9-13)10-14-18-19-15(21-14)11-4-6-12(16)7-5-11/h4-7,13,17H,2-3,8-10H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine?
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 290.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63641803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).