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

C14H18ClF3N2O — CID 102715699

IUPAC2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESCCCOC1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C14H18ClF3N2O/c1-2-6-21-11-4-3-5-20(9-11)13-8-10(14(16,17)18)7-12(15)19-13/h7-8,11H,2-6,9H2,1H3
InChIKeyBEPYBHGLZADUDI-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.15
Rot. Bonds4

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

2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102715699) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID102715699
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine
SMILESCCCOC1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1
InChIInChI=1S/C14H18ClF3N2O/c1-2-6-21-11-4-3-5-20(9-11)13-8-10(14(16,17)18)7-12(15)19-13/h7-8,11H,2-6,9H2,1H3
InChIKeyBEPYBHGLZADUDI-UHFFFAOYSA-N
XLogP4.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine (CID 102715699) is 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine is CCCOC1CCCN(c2cc(C(F)(F)F)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is BEPYBHGLZADUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-2-6-21-11-4-3-5-20(9-11)13-8-10(14(16,17)18)7-12(15)19-13/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 322.76 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-propoxypiperidin-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).