N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C13H19F4N3O3 — CID 155407868

IUPACN-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFCCN(Cc1cnco1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18FN3O.C2HF3O2/c12-3-6-15(8-11-7-14-9-16-11)10-1-4-13-5-2-10;3-2(4,5)1(6)7/h7,9-10,13H,1-6,8H2;(H,6,7)
InChIKeyIIXFIXLHJQYQRP-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.83
Rot. Bonds5

About N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid

N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155407868) has the molecular formula C13H19F4N3O3 and a molecular weight of 341.31 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155407868
Molecular FormulaC13H19F4N3O3
Molecular Weight341.31 g/mol
Exact Mass341.14
IUPAC NameN-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFCCN(Cc1cnco1)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18FN3O.C2HF3O2/c12-3-6-15(8-11-7-14-9-16-11)10-1-4-13-5-2-10;3-2(4,5)1(6)7/h7,9-10,13H,1-6,8H2;(H,6,7)
InChIKeyIIXFIXLHJQYQRP-UHFFFAOYSA-N
XLogP1.83
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 155407868) is N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is FCCN(Cc1cnco1)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is IIXFIXLHJQYQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O.C2HF3O2/c12-3-6-15(8-11-7-14-9-16-11)10-1-4-13-5-2-10;3-2(4,5)1(6)7/h7,9-10,13H,1-6,8H2;(H,6,7).
What are the key properties of N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 341.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-(1,3-oxazol-5-ylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).