6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine

C15H20ClF3N2 — CID 166713019

IUPAC6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1CCN(c2ccc(Cl)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20ClF3N2/c1-14(2,3)10-6-8-21(9-7-10)12-5-4-11(16)13(20-12)15(17,18)19/h4-5,10H,6-9H2,1-3H3
InChIKeyFAWHUECJPXNCMB-UHFFFAOYSA-N
MW320.79 g/mol
LogP5.02
Rot. Bonds1

About 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine

6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine (PubChem CID 166713019) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine
PubChem CID166713019
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1CCN(c2ccc(Cl)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20ClF3N2/c1-14(2,3)10-6-8-21(9-7-10)12-5-4-11(16)13(20-12)15(17,18)19/h4-5,10H,6-9H2,1-3H3
InChIKeyFAWHUECJPXNCMB-UHFFFAOYSA-N
XLogP5.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.79
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine (CID 166713019) is 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine is CC(C)(C)C1CCN(c2ccc(Cl)c(C(F)(F)F)n2)CC1.
What is the InChIKey of 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine?
The InChIKey is FAWHUECJPXNCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-14(2,3)10-6-8-21(9-7-10)12-5-4-11(16)13(20-12)15(17,18)19/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine?
6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine has a molecular weight of 320.79 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperidin-1-yl)-3-chloro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 166713019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).