N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine

C12H15F3N2 — CID 55119359

IUPACN-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
SMILESCNC1CCN(c2cc(F)cc(F)c2F)CC1
InChIInChI=1S/C12H15F3N2/c1-16-9-2-4-17(5-3-9)11-7-8(13)6-10(14)12(11)15/h6-7,9,16H,2-5H2,1H3
InChIKeyFETOVESXRKGHAC-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.29
Rot. Bonds2

About N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine

N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine (PubChem CID 55119359) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
PubChem CID55119359
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
SMILESCNC1CCN(c2cc(F)cc(F)c2F)CC1
InChIInChI=1S/C12H15F3N2/c1-16-9-2-4-17(5-3-9)11-7-8(13)6-10(14)12(11)15/h6-7,9,16H,2-5H2,1H3
InChIKeyFETOVESXRKGHAC-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine (CID 55119359) is N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine is CNC1CCN(c2cc(F)cc(F)c2F)CC1.
What is the InChIKey of N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine?
The InChIKey is FETOVESXRKGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-16-9-2-4-17(5-3-9)11-7-8(13)6-10(14)12(11)15/h6-7,9,16H,2-5H2,1H3.
What are the key properties of N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine?
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine is sourced from PubChem (CID 55119359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).