N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine

C12H18F2N4O — CID 67641517

IUPACN-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESCC(F)(F)c1noc(N2CCC(NC3CC3)CC2)n1
InChIInChI=1S/C12H18F2N4O/c1-12(13,14)10-16-11(19-17-10)18-6-4-9(5-7-18)15-8-2-3-8/h8-9,15H,2-7H2,1H3
InChIKeyPLQCLKPUASXKHV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.90
Rot. Bonds4

About N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine

N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (PubChem CID 67641517) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
PubChem CID67641517
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC NameN-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESCC(F)(F)c1noc(N2CCC(NC3CC3)CC2)n1
InChIInChI=1S/C12H18F2N4O/c1-12(13,14)10-16-11(19-17-10)18-6-4-9(5-7-18)15-8-2-3-8/h8-9,15H,2-7H2,1H3
InChIKeyPLQCLKPUASXKHV-UHFFFAOYSA-N
XLogP1.90
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 53609754
1-[3-(2-Fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 67630064
2-[[1-[3-(1,1-Difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol
CID 67641515
[1-[3-(1,1-Difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]methanamine
CID 69674810
1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidin-4-amine
CID 69674811
1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidin-4-amine;hydrochloride
CID 69674859
[1-[3-(1,1-Difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoropiperidin-4-yl]methanamine
CID 69676602
[(3R,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoropiperidin-4-yl]methanamine
CID 69676603
1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine
CID 69676604
(3R,4R)-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]-3-fluoro-N-methylpiperidin-4-amine
CID 69676605
1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine
CID 71272435
1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylpiperidin-4-amine;hydrochloride
CID 71272632

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The IUPAC name of N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (CID 67641517) is N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is CC(F)(F)c1noc(N2CCC(NC3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The InChIKey is PLQCLKPUASXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-12(13,14)10-16-11(19-17-10)18-6-4-9(5-7-18)15-8-2-3-8/h8-9,15H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine has a molecular weight of 272.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 67641517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).