[2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol

C12H16F3N3O — CID 86706869

IUPAC[2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(NC2CCNCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-5-8(7-19)6-11(18-10)17-9-1-3-16-4-2-9/h5-6,9,16,19H,1-4,7H2,(H,17,18)
InChIKeyALTFVFYUEMQYKB-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.76
Rot. Bonds3

About [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol

[2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 86706869) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID86706869
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name[2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(NC2CCNCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-5-8(7-19)6-11(18-10)17-9-1-3-16-4-2-9/h5-6,9,16,19H,1-4,7H2,(H,17,18)
InChIKeyALTFVFYUEMQYKB-UHFFFAOYSA-N
XLogP1.76
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 86706869) is [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(NC2CCNCC2)nc(C(F)(F)F)c1.
What is the InChIKey of [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is ALTFVFYUEMQYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-5-8(7-19)6-11(18-10)17-9-1-3-16-4-2-9/h5-6,9,16,19H,1-4,7H2,(H,17,18).
What are the key properties of [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 275.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-4-ylamino)-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 86706869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).