[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone

C23H21F3N2O2 — CID 78856397

IUPAC[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1cnc2ccccc2c1C(F)(F)F)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)20-17-8-4-5-9-19(17)27-14-18(20)22(30)28-12-10-16(11-13-28)21(29)15-6-2-1-3-7-15/h1-9,14,16,21,29H,10-13H2
InChIKeyWIYOOAJTDUUJKZ-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.84
Rot. Bonds3

About [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone (PubChem CID 78856397) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone.

Molecular Properties

Compound Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
PubChem CID78856397
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1cnc2ccccc2c1C(F)(F)F)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C23H21F3N2O2/c24-23(25,26)20-17-8-4-5-9-19(17)27-14-18(20)22(30)28-12-10-16(11-13-28)21(29)15-6-2-1-3-7-15/h1-9,14,16,21,29H,10-13H2
InChIKeyWIYOOAJTDUUJKZ-UHFFFAOYSA-N
XLogP4.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone with MolForge

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Related Compounds

[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 78844521
N-(5-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)quinoline-3-carbonyl]piperidine-4-carboxamide
CID 78891005
N,N-diethyl-2-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]acetamide
CID 78844945
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78844795
2-[2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 119180053
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035
(3-aminopyrazin-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38480245
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95193737

Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone?
The IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone (CID 78856397) is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone.
What is the SMILES notation for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone?
The canonical SMILES for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone is O=C(c1cnc2ccccc2c1C(F)(F)F)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone?
The InChIKey is WIYOOAJTDUUJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c24-23(25,26)20-17-8-4-5-9-19(17)27-14-18(20)22(30)28-12-10-16(11-13-28)21(29)15-6-2-1-3-7-15/h1-9,14,16,21,29H,10-13H2.
What are the key properties of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone?
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone has a molecular weight of 414.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone is sourced from PubChem (CID 78856397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).