N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H23F3N2 — CID 103914560

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCC2=CCCC2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)11-19-9-6-13(7-10-19)18-8-5-12-3-1-2-4-12/h3,13,18H,1-2,4-11H2
InChIKeyONWZODXLMZBARG-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 103914560) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID103914560
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCC2=CCCC2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)11-19-9-6-13(7-10-19)18-8-5-12-3-1-2-4-12/h3,13,18H,1-2,4-11H2
InChIKeyONWZODXLMZBARG-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 103914560) is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCC2=CCCC2)CC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is ONWZODXLMZBARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)11-19-9-6-13(7-10-19)18-8-5-12-3-1-2-4-12/h3,13,18H,1-2,4-11H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 276.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 103914560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).