[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone

C12H14F3N3O — CID 129353805

IUPAC[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESN[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccncc2)C1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)10-2-1-9(16)7-18(10)11(19)8-3-5-17-6-4-8/h3-6,9-10H,1-2,7,16H2/t9-,10-/m0/s1
InChIKeyVABZCTAGAMGQBQ-UWVGGRQHSA-N
MW273.26 g/mol
LogP1.58
Rot. Bonds1

About [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone

[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 129353805) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID129353805
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESN[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccncc2)C1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)10-2-1-9(16)7-18(10)11(19)8-3-5-17-6-4-8/h3-6,9-10H,1-2,7,16H2/t9-,10-/m0/s1
InChIKeyVABZCTAGAMGQBQ-UWVGGRQHSA-N
XLogP1.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 129353807
[(2R,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129353604
N-[1-(pyridine-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989570
[(2S,5R)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 129353663
[5-amino-2-(trifluoromethyl)piperidin-1-yl]-[4-(cyclopropylmethoxy)phenyl]methanone
CID 154759205
[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 129359380
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 128986438
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 129353805) is [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone is N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccncc2)C1.
What is the InChIKey of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is VABZCTAGAMGQBQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)10-2-1-9(16)7-18(10)11(19)8-3-5-17-6-4-8/h3-6,9-10H,1-2,7,16H2/t9-,10-/m0/s1.
What are the key properties of [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 273.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 129353805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).