1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C13H15F3N2O — CID 58563887

IUPAC1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)9-4-5-10(18-8-9)7-12(19)11-3-1-2-6-17-11/h4-5,8,11,17H,1-3,6-7H2/t11-/m0/s1
InChIKeyTZZQZFUKEMDDNY-NSHDSACASA-N
MW272.27 g/mol
LogP2.35
Rot. Bonds3

About 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 58563887) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID58563887
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)9-4-5-10(18-8-9)7-12(19)11-3-1-2-6-17-11/h4-5,8,11,17H,1-3,6-7H2/t11-/m0/s1
InChIKeyTZZQZFUKEMDDNY-NSHDSACASA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158131432
3-(cyclohexylamino)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 58374277
tert-butyl (2S)-2-[2-[5-(trifluoromethyl)-2-pyridinyl]acetyl]piperidine-1-carboxylate
CID 58563799
1-[(2R)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158966559
1-[(2S)-1-(4-chlorophenyl)pyrrolidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158966557
3-(cyclobutylmethylsulfanyl)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 58287549
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58563745
(2R)-2-methylazepane;N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 177317770
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 119338414
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 58563887) is 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1.
What is the InChIKey of 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is TZZQZFUKEMDDNY-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)9-4-5-10(18-8-9)7-12(19)11-3-1-2-6-17-11/h4-5,8,11,17H,1-3,6-7H2/t11-/m0/s1.
What are the key properties of 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 272.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-piperidin-2-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58563887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).