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

C15H25F3N2 — CID 43766392

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)12-20-10-7-14(8-11-20)19-9-6-13-4-2-1-3-5-13/h4,14,19H,1-3,5-12H2
InChIKeyXLWMDPVSODVZPW-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.49
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43766392) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43766392
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)12-20-10-7-14(8-11-20)19-9-6-13-4-2-1-3-5-13/h4,14,19H,1-3,5-12H2
InChIKeyXLWMDPVSODVZPW-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.49
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-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43766392) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is XLWMDPVSODVZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c16-15(17,18)12-20-10-7-14(8-11-20)19-9-6-13-4-2-1-3-5-13/h4,14,19H,1-3,5-12H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43766392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).