6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine

C11H14F3N3 — CID 129372273

IUPAC6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-2-1-5-17(7-8)10-4-3-9(15)6-16-10/h3-4,6,8H,1-2,5,7,15H2/t8-/m0/s1
InChIKeyJXDQWNWBQDWHAH-QMMMGPOBSA-N
MW245.25 g/mol
LogP2.44
Rot. Bonds1

About 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine

6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine (PubChem CID 129372273) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
PubChem CID129372273
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-2-1-5-17(7-8)10-4-3-9(15)6-16-10/h3-4,6,8H,1-2,5,7,15H2/t8-/m0/s1
InChIKeyJXDQWNWBQDWHAH-QMMMGPOBSA-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 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine (CID 129372273) is 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine is Nc1ccc(N2CCC[C@H](C(F)(F)F)C2)nc1.
What is the InChIKey of 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The InChIKey is JXDQWNWBQDWHAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)8-2-1-5-17(7-8)10-4-3-9(15)6-16-10/h3-4,6,8H,1-2,5,7,15H2/t8-/m0/s1.
What are the key properties of 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-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 6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 129372273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).