3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine

C11H14F3N3 — CID 104540507

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
SMILESNc1ncccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-3-2-6-17(7-8)9-4-1-5-16-10(9)15/h1,4-5,8H,2-3,6-7H2,(H2,15,16)
InChIKeyLNIHQXYDLBXRNC-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.44
Rot. Bonds1

About 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine

3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine (PubChem CID 104540507) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
PubChem CID104540507
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine
SMILESNc1ncccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-3-2-6-17(7-8)9-4-1-5-16-10(9)15/h1,4-5,8H,2-3,6-7H2,(H2,15,16)
InChIKeyLNIHQXYDLBXRNC-UHFFFAOYSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine (CID 104540507) is 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine is Nc1ncccc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
The InChIKey is LNIHQXYDLBXRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)8-3-2-6-17(7-8)9-4-1-5-16-10(9)15/h1,4-5,8H,2-3,6-7H2,(H2,15,16).
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine?
3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine has a molecular weight of 245.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 104540507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).