4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine

C12H16F3N3O — CID 171615090

IUPAC4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
SMILESCOc1cc(N2CCC(C(F)(F)F)CC2)ncc1N
InChIInChI=1S/C12H16F3N3O/c1-19-10-6-11(17-7-9(10)16)18-4-2-8(3-5-18)12(13,14)15/h6-8H,2-5,16H2,1H3
InChIKeyYCQIYLWKNLSMEL-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.45
Rot. Bonds2

About 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine

4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine (PubChem CID 171615090) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
PubChem CID171615090
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
SMILESCOc1cc(N2CCC(C(F)(F)F)CC2)ncc1N
InChIInChI=1S/C12H16F3N3O/c1-19-10-6-11(17-7-9(10)16)18-4-2-8(3-5-18)12(13,14)15/h6-8H,2-5,16H2,1H3
InChIKeyYCQIYLWKNLSMEL-UHFFFAOYSA-N
XLogP2.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine (CID 171615090) is 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine is COc1cc(N2CCC(C(F)(F)F)CC2)ncc1N.
What is the InChIKey of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The InChIKey is YCQIYLWKNLSMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-19-10-6-11(17-7-9(10)16)18-4-2-8(3-5-18)12(13,14)15/h6-8H,2-5,16H2,1H3.
What are the key properties of 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine has a molecular weight of 275.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 171615090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).