N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde

C13H19F3N4O — CID 155586915

IUPACN-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCNC.O=Cc1ccc(N2CCNCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O.C2H7N/c12-11(13,14)10-9(2-1-8(7-18)16-10)17-5-3-15-4-6-17;1-3-2/h1-2,7,15H,3-6H2;3H,1-2H3
InChIKeyGCPQKCPNURTNGS-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.16
Rot. Bonds2

About N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde

N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde (PubChem CID 155586915) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound NameN-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
PubChem CID155586915
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
SMILESCNC.O=Cc1ccc(N2CCNCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O.C2H7N/c12-11(13,14)10-9(2-1-8(7-18)16-10)17-5-3-15-4-6-17;1-3-2/h1-2,7,15H,3-6H2;3H,1-2H3
InChIKeyGCPQKCPNURTNGS-UHFFFAOYSA-N
XLogP1.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The IUPAC name of N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde (CID 155586915) is N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The canonical SMILES for N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde is CNC.O=Cc1ccc(N2CCNCC2)c(C(F)(F)F)n1.
What is the InChIKey of N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
The InChIKey is GCPQKCPNURTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O.C2H7N/c12-11(13,14)10-9(2-1-8(7-18)16-10)17-5-3-15-4-6-17;1-3-2/h1-2,7,15H,3-6H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde?
N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde has a molecular weight of 304.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;5-piperazin-1-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 155586915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).