4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol

C19H22F3N3O3 — CID 67171308

IUPAC4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol
SMILESCOc1ccc(Nc2ccnc(N3CCC(O)(CO)CC3)c2)cc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O3/c1-28-16-3-2-13(10-15(16)19(20,21)22)24-14-4-7-23-17(11-14)25-8-5-18(27,12-26)6-9-25/h2-4,7,10-11,26-27H,5-6,8-9,12H2,1H3,(H,23,24)
InChIKeyUZUDRLAFWQKNJL-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.18
Rot. Bonds5

About 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol

4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol (PubChem CID 67171308) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol
PubChem CID67171308
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol
SMILESCOc1ccc(Nc2ccnc(N3CCC(O)(CO)CC3)c2)cc1C(F)(F)F
InChIInChI=1S/C19H22F3N3O3/c1-28-16-3-2-13(10-15(16)19(20,21)22)24-14-4-7-23-17(11-14)25-8-5-18(27,12-26)6-9-25/h2-4,7,10-11,26-27H,5-6,8-9,12H2,1H3,(H,23,24)
InChIKeyUZUDRLAFWQKNJL-UHFFFAOYSA-N
XLogP3.18
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol (CID 67171308) is 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol is COc1ccc(Nc2ccnc(N3CCC(O)(CO)CC3)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol?
The InChIKey is UZUDRLAFWQKNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-28-16-3-2-13(10-15(16)19(20,21)22)24-14-4-7-23-17(11-14)25-8-5-18(27,12-26)6-9-25/h2-4,7,10-11,26-27H,5-6,8-9,12H2,1H3,(H,23,24).
What are the key properties of 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol?
4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol has a molecular weight of 397.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-[4-methoxy-3-(trifluoromethyl)anilino]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 67171308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).