N-benzyl-N-(trifluoromethyl)piperidin-4-amine

C13H17F3N2 — CID 71648787

IUPACN-benzyl-N-(trifluoromethyl)piperidin-4-amine
SMILESFC(F)(F)N(Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)18(12-6-8-17-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKeyJTLFVKPHGOENFK-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.76
Rot. Bonds3

About N-benzyl-N-(trifluoromethyl)piperidin-4-amine

N-benzyl-N-(trifluoromethyl)piperidin-4-amine (PubChem CID 71648787) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-benzyl-N-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N-(trifluoromethyl)piperidin-4-amine
PubChem CID71648787
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-benzyl-N-(trifluoromethyl)piperidin-4-amine
SMILESFC(F)(F)N(Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)18(12-6-8-17-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2
InChIKeyJTLFVKPHGOENFK-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-N-(trifluoromethyl)piperidin-4-amine (CID 71648787) is N-benzyl-N-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-N-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-N-(trifluoromethyl)piperidin-4-amine is FC(F)(F)N(Cc1ccccc1)C1CCNCC1.
What is the InChIKey of N-benzyl-N-(trifluoromethyl)piperidin-4-amine?
The InChIKey is JTLFVKPHGOENFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)18(12-6-8-17-9-7-12)10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2.
What are the key properties of N-benzyl-N-(trifluoromethyl)piperidin-4-amine?
N-benzyl-N-(trifluoromethyl)piperidin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 71648787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).