2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine

C13H16ClF3N2 — CID 106838452

IUPAC2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESCC(Cl)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H16ClF3N2/c1-9(14)10-5-7-19(8-6-10)12-4-2-3-11(18-12)13(15,16)17/h2-4,9-10H,5-8H2,1H3
InChIKeyBCPFFFOGTRPVQR-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.94
Rot. Bonds2

About 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine

2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 106838452) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID106838452
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESCC(Cl)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H16ClF3N2/c1-9(14)10-5-7-19(8-6-10)12-4-2-3-11(18-12)13(15,16)17/h2-4,9-10H,5-8H2,1H3
InChIKeyBCPFFFOGTRPVQR-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine (CID 106838452) is 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine is CC(Cl)C1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is BCPFFFOGTRPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-9(14)10-5-7-19(8-6-10)12-4-2-3-11(18-12)13(15,16)17/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine?
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 292.73 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 106838452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).