N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid

C17H23F3N2O4 — CID 2838119

IUPACN,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid
SMILESCN1CCC(N(C)Cc2ccc(C(F)(F)F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H21F3N2.C2H2O4/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18;3-1(4)2(5)6/h3-6,14H,7-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWIFKVWYTVITCGP-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.39
Rot. Bonds3

About N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid

N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid (PubChem CID 2838119) has the molecular formula C17H23F3N2O4 and a molecular weight of 376.38 g/mol. Its IUPAC name is N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid.

Molecular Properties

Compound NameN,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid
PubChem CID2838119
Molecular FormulaC17H23F3N2O4
Molecular Weight376.38 g/mol
Exact Mass376.16
IUPAC NameN,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid
SMILESCN1CCC(N(C)Cc2ccc(C(F)(F)F)cc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C15H21F3N2.C2H2O4/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18;3-1(4)2(5)6/h3-6,14H,7-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWIFKVWYTVITCGP-UHFFFAOYSA-N
XLogP2.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid?
The IUPAC name of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid (CID 2838119) is N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid.
What is the SMILES notation for N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid?
The canonical SMILES for N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid is CN1CCC(N(C)Cc2ccc(C(F)(F)F)cc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid?
The InChIKey is WIFKVWYTVITCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.C2H2O4/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18;3-1(4)2(5)6/h3-6,14H,7-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid?
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid has a molecular weight of 376.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;oxalic acid is sourced from PubChem (CID 2838119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).