5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine

C14H16F2N4O — CID 126831030

IUPAC5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C2CCN(Cc3c(F)cccc3F)CC2)o1
InChIInChI=1S/C14H16F2N4O/c15-11-2-1-3-12(16)10(11)8-20-6-4-9(5-7-20)13-18-19-14(17)21-13/h1-3,9H,4-8H2,(H2,17,19)
InChIKeyRBJKOMRLSVLPQI-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.31
Rot. Bonds3

About 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine

5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 126831030) has the molecular formula C14H16F2N4O and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
PubChem CID126831030
Molecular FormulaC14H16F2N4O
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(C2CCN(Cc3c(F)cccc3F)CC2)o1
InChIInChI=1S/C14H16F2N4O/c15-11-2-1-3-12(16)10(11)8-20-6-4-9(5-7-20)13-18-19-14(17)21-13/h1-3,9H,4-8H2,(H2,17,19)
InChIKeyRBJKOMRLSVLPQI-UHFFFAOYSA-N
XLogP2.31
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluorobenzyl)piperidine-1-carboxamide
CID 44067579
N-benzyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 71792984
1-(3,4-difluorobenzyl)-N-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-amine
CID 72908302
2-Isopropyl-5-(1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49669471
1-[(3-Fluorophenyl)methyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine
CID 71793483
4-(5-amino-1,3,4-oxadiazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]piperidine-1-carboxamide
CID 126841034
N-(4-fluorobenzyl)-4-(5-isopropyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 44067478
2-Isopropyl-5-(1-(4-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702625
2-(1-(3-Fluorobenzyl)piperidin-4-yl)-5-isopropyl-1,3,4-oxadiazole
CID 49702629
2-(1-(4-Fluorobenzyl)piperidin-4-yl)-5-isopropyl-1,3,4-oxadiazole
CID 49702633
2-Cyclopropyl-5-(1-(4-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702787
2-Cyclopropyl-5-(1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702788

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine (CID 126831030) is 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(C2CCN(Cc3c(F)cccc3F)CC2)o1.
What is the InChIKey of 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RBJKOMRLSVLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-11-2-1-3-12(16)10(11)8-20-6-4-9(5-7-20)13-18-19-14(17)21-13/h1-3,9H,4-8H2,(H2,17,19).
What are the key properties of 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine?
5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126831030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).