(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

C19H25F3N2O2 — CID 95897796

IUPAC(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1
InChIInChI=1S/C19H25F3N2O2/c1-14(23-9-2-3-10-23)17(25)24-11-7-18(26,8-12-24)15-5-4-6-16(13-15)19(20,21)22/h4-6,13-14,26H,2-3,7-12H2,1H3/t14-/m0/s1
InChIKeyZFKFYKINEVBTBX-AWEZNQCLSA-N
MW370.42 g/mol
LogP3.00
Rot. Bonds3

About (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one

(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 95897796) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
PubChem CID95897796
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1
InChIInChI=1S/C19H25F3N2O2/c1-14(23-9-2-3-10-23)17(25)24-11-7-18(26,8-12-24)15-5-4-6-16(13-15)19(20,21)22/h4-6,13-14,26H,2-3,7-12H2,1H3/t14-/m0/s1
InChIKeyZFKFYKINEVBTBX-AWEZNQCLSA-N
XLogP3.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
(2S)-2-amino-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 154894770
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 143404383
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 70767483
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56898774
(3S)-3-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-2-one
CID 25396098
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56910663

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one (CID 95897796) is (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is C[C@@H](C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCCC1.
What is the InChIKey of (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZFKFYKINEVBTBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-14(23-9-2-3-10-23)17(25)24-11-7-18(26,8-12-24)15-5-4-6-16(13-15)19(20,21)22/h4-6,13-14,26H,2-3,7-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one?
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 370.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95897796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).