5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol

C16H17F3N2O — CID 129241108

IUPAC5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
SMILESCC1CC(O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C16H17F3N2O/c1-10-7-11(22)9-21(8-10)14-5-4-13(16(17,18)19)15-12(14)3-2-6-20-15/h2-6,10-11,22H,7-9H2,1H3
InChIKeyPHTNOBHQHSRZSA-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.46
Rot. Bonds1

About 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol

5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol (PubChem CID 129241108) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
PubChem CID129241108
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
SMILESCC1CC(O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1
InChIInChI=1S/C16H17F3N2O/c1-10-7-11(22)9-21(8-10)14-5-4-13(16(17,18)19)15-12(14)3-2-6-20-15/h2-6,10-11,22H,7-9H2,1H3
InChIKeyPHTNOBHQHSRZSA-UHFFFAOYSA-N
XLogP3.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
5-methyl-N-(1-oxothietan-3-yl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 146329389
3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
3-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]propanamide
CID 156755881
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 129275640
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 129241455
2-(1-methylazetidin-3-yl)-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 166776978

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol?
The IUPAC name of 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol (CID 129241108) is 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol.
What is the SMILES notation for 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol?
The canonical SMILES for 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol is CC1CC(O)CN(c2ccc(C(F)(F)F)c3ncccc23)C1.
What is the InChIKey of 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol?
The InChIKey is PHTNOBHQHSRZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-10-7-11(22)9-21(8-10)14-5-4-13(16(17,18)19)15-12(14)3-2-6-20-15/h2-6,10-11,22H,7-9H2,1H3.
What are the key properties of 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol?
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol has a molecular weight of 310.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol is sourced from PubChem (CID 129241108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).