[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C13H14F3NO2 — CID 93032469

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(19)17-7-1-2-11(18)8-17/h3-6,11,18H,1-2,7-8H2/t11-/m0/s1
InChIKeyVZHLYIONOMTDKV-NSHDSACASA-N
MW273.25 g/mol
LogP2.30
Rot. Bonds1

About [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 93032469) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID93032469
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(19)17-7-1-2-11(18)8-17/h3-6,11,18H,1-2,7-8H2/t11-/m0/s1
InChIKeyVZHLYIONOMTDKV-NSHDSACASA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63765933
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[3-(4-chlorophenyl)azepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121146514

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 93032469) is [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is VZHLYIONOMTDKV-NSHDSACASA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-5-3-9(4-6-10)12(19)17-7-1-2-11(18)8-17/h3-6,11,18H,1-2,7-8H2/t11-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 273.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 93032469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).