4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol

C22H21F3N4O — CID 66615891

IUPAC4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol
SMILESOC1(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CCNCC1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)19-7-6-18(14-27-19)29-20-8-3-16(13-28-20)15-1-4-17(5-2-15)21(30)9-11-26-12-10-21/h1-8,13-14,26,30H,9-12H2,(H,28,29)
InChIKeyHBXLYWKHOUEFTC-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.48
Rot. Bonds4

About 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol

4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol (PubChem CID 66615891) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol
PubChem CID66615891
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol
SMILESOC1(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CCNCC1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)19-7-6-18(14-27-19)29-20-8-3-16(13-28-20)15-1-4-17(5-2-15)21(30)9-11-26-12-10-21/h1-8,13-14,26,30H,9-12H2,(H,28,29)
InChIKeyHBXLYWKHOUEFTC-UHFFFAOYSA-N
XLogP4.48
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol (CID 66615891) is 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol is OC1(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)nc3)cc2)CCNCC1.
What is the InChIKey of 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol?
The InChIKey is HBXLYWKHOUEFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c23-22(24,25)19-7-6-18(14-27-19)29-20-8-3-16(13-28-20)15-1-4-17(5-2-15)21(30)9-11-26-12-10-21/h1-8,13-14,26,30H,9-12H2,(H,28,29).
What are the key properties of 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol?
4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol has a molecular weight of 414.43 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 66615891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).