1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C13H21F3N2 — CID 114489996

IUPAC1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCC2CCCCN2)CC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)11-4-8-18(9-5-11)10-6-12-3-1-2-7-17-12/h4,12,17H,1-3,5-10H2
InChIKeyYTOHJJGQYXABJE-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114489996) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114489996
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCC2CCCCN2)CC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)11-4-8-18(9-5-11)10-6-12-3-1-2-7-17-12/h4,12,17H,1-3,5-10H2
InChIKeyYTOHJJGQYXABJE-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.71
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 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114489996) is 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CCC2CCCCN2)CC1.
What is the InChIKey of 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is YTOHJJGQYXABJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c14-13(15,16)11-4-8-18(9-5-11)10-6-12-3-1-2-7-17-12/h4,12,17H,1-3,5-10H2.
What are the key properties of 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 262.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-2-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114489996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).