[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone

C19H19F3N2O — CID 124690117

IUPAC[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C19H19F3N2O/c1-11-8-15(23)6-7-24(11)19(25)13-4-2-12(3-5-13)14-9-16(20)18(22)17(21)10-14/h2-5,9-11,15H,6-8,23H2,1H3/t11-,15-/m1/s1
InChIKeyVMGGYTPTGPIHIK-IAQYHMDHSA-N
MW348.37 g/mol
LogP3.72
Rot. Bonds2

About [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone (PubChem CID 124690117) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
PubChem CID124690117
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
SMILESC[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C19H19F3N2O/c1-11-8-15(23)6-7-24(11)19(25)13-4-2-12(3-5-13)14-9-16(20)18(22)17(21)10-14/h2-5,9-11,15H,6-8,23H2,1H3/t11-,15-/m1/s1
InChIKeyVMGGYTPTGPIHIK-IAQYHMDHSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
CID 124688578
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-fluoro-N-methylbenzenesulfonamide
CID 126779851
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
CID 124692445
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124691606
(4-amino-2-methylpiperidin-1-yl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 122149103
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 124692681
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124694495

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone?
The IUPAC name of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone (CID 124690117) is [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone.
What is the SMILES notation for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone?
The canonical SMILES for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone is C[C@@H]1C[C@H](N)CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone?
The InChIKey is VMGGYTPTGPIHIK-IAQYHMDHSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-11-8-15(23)6-7-24(11)19(25)13-4-2-12(3-5-13)14-9-16(20)18(22)17(21)10-14/h2-5,9-11,15H,6-8,23H2,1H3/t11-,15-/m1/s1.
What are the key properties of [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone?
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone has a molecular weight of 348.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone is sourced from PubChem (CID 124690117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).