4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol

C16H17F3N2O2 — CID 56738268

IUPAC4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
SMILESOCC1(O)CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)12-3-1-2-11-13(4-7-20-14(11)12)21-8-5-15(23,10-22)6-9-21/h1-4,7,22-23H,5-6,8-10H2
InChIKeyDKMABBLXIVWWHS-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.58
Rot. Bonds2

About 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol

4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol (PubChem CID 56738268) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
PubChem CID56738268
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
SMILESOCC1(O)CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)12-3-1-2-11-13(4-7-20-14(11)12)21-8-5-15(23,10-22)6-9-21/h1-4,7,22-23H,5-6,8-10H2
InChIKeyDKMABBLXIVWWHS-UHFFFAOYSA-N
XLogP2.58
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol (CID 56738268) is 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol is OCC1(O)CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
The InChIKey is DKMABBLXIVWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)12-3-1-2-11-13(4-7-20-14(11)12)21-8-5-15(23,10-22)6-9-21/h1-4,7,22-23H,5-6,8-10H2.
What are the key properties of 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol?
4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol has a molecular weight of 326.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56738268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).