N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine

C12H19F3N4 — CID 118700028

IUPACN-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine
SMILESFC(F)(F)c1ccn(CCCNC2CCNCC2)n1
InChIInChI=1S/C12H19F3N4/c13-12(14,15)11-4-9-19(18-11)8-1-5-17-10-2-6-16-7-3-10/h4,9-10,16-17H,1-3,5-8H2
InChIKeyVGDYKMPNLKWOLO-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.63
Rot. Bonds5

About N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine

N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine (PubChem CID 118700028) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine
PubChem CID118700028
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine
SMILESFC(F)(F)c1ccn(CCCNC2CCNCC2)n1
InChIInChI=1S/C12H19F3N4/c13-12(14,15)11-4-9-19(18-11)8-1-5-17-10-2-6-16-7-3-10/h4,9-10,16-17H,1-3,5-8H2
InChIKeyVGDYKMPNLKWOLO-UHFFFAOYSA-N
XLogP1.63
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]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-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine?
The IUPAC name of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine (CID 118700028) is N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine?
The canonical SMILES for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine is FC(F)(F)c1ccn(CCCNC2CCNCC2)n1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine?
The InChIKey is VGDYKMPNLKWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c13-12(14,15)11-4-9-19(18-11)8-1-5-17-10-2-6-16-7-3-10/h4,9-10,16-17H,1-3,5-8H2.
What are the key properties of N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine?
N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine has a molecular weight of 276.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]piperidin-4-amine is sourced from PubChem (CID 118700028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).