N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine

C13H15F5N2 — CID 91322362

IUPACN-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)C(F)(F)c1cccc(NC2CCNCC2)c1
InChIInChI=1S/C13H15F5N2/c14-12(15,13(16,17)18)9-2-1-3-11(8-9)20-10-4-6-19-7-5-10/h1-3,8,10,19-20H,4-7H2
InChIKeyULXKLSZHTFCZJS-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.50
Rot. Bonds3

About N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine

N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine (PubChem CID 91322362) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine
PubChem CID91322362
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC NameN-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine
SMILESFC(F)(F)C(F)(F)c1cccc(NC2CCNCC2)c1
InChIInChI=1S/C13H15F5N2/c14-12(15,13(16,17)18)9-2-1-3-11(8-9)20-10-4-6-19-7-5-10/h1-3,8,10,19-20H,4-7H2
InChIKeyULXKLSZHTFCZJS-UHFFFAOYSA-N
XLogP3.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine (CID 91322362) is N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine is FC(F)(F)C(F)(F)c1cccc(NC2CCNCC2)c1.
What is the InChIKey of N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine?
The InChIKey is ULXKLSZHTFCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2/c14-12(15,13(16,17)18)9-2-1-3-11(8-9)20-10-4-6-19-7-5-10/h1-3,8,10,19-20H,4-7H2.
What are the key properties of N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine?
N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine has a molecular weight of 294.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 91322362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).