3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine

C12H15F3N2O — CID 163345314

IUPAC3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESCOc1cccnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c1-18-10-3-2-6-16-11(10)17-7-4-9(5-8-17)12(13,14)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyMVBHNLKUWWPWEV-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.87
Rot. Bonds2

About 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine

3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine (PubChem CID 163345314) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
PubChem CID163345314
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESCOc1cccnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c1-18-10-3-2-6-16-11(10)17-7-4-9(5-8-17)12(13,14)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyMVBHNLKUWWPWEV-UHFFFAOYSA-N
XLogP2.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine (CID 163345314) is 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine is COc1cccnc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The InChIKey is MVBHNLKUWWPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-18-10-3-2-6-16-11(10)17-7-4-9(5-8-17)12(13,14)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine has a molecular weight of 260.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 163345314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).