2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine

C16H24F3N5 — CID 110930670

IUPAC2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
SMILESC/N=C(\N)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H24F3N5/c1-21-15(20)22-6-3-7-23-8-10-24(11-9-23)14-5-2-4-13(12-14)16(17,18)19/h2,4-5,12H,3,6-11H2,1H3,(H3,20,21,22)
InChIKeyKZEWDZKCKZRKBC-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.75
Rot. Bonds5

About 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine

2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine (PubChem CID 110930670) has the molecular formula C16H24F3N5 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
PubChem CID110930670
Molecular FormulaC16H24F3N5
Molecular Weight343.40 g/mol
Exact Mass343.20
IUPAC Name2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
SMILESC/N=C(\N)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H24F3N5/c1-21-15(20)22-6-3-7-23-8-10-24(11-9-23)14-5-2-4-13(12-14)16(17,18)19/h2,4-5,12H,3,6-11H2,1H3,(H3,20,21,22)
InChIKeyKZEWDZKCKZRKBC-UHFFFAOYSA-N
XLogP1.75
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
1-(4-ethoxybutyl)-2-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine;hydroiodide
CID 111945344
1-propan-2-yl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine
CID 111058937
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 111234109
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
tert-butyl N-[4-oxo-4-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]butyl]carbamate
CID 55683557
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 47055405
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 111234153
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine?
The IUPAC name of 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine (CID 110930670) is 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine.
What is the SMILES notation for 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine?
The canonical SMILES for 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine is C/N=C(\N)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine?
The InChIKey is KZEWDZKCKZRKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5/c1-21-15(20)22-6-3-7-23-8-10-24(11-9-23)14-5-2-4-13(12-14)16(17,18)19/h2,4-5,12H,3,6-11H2,1H3,(H3,20,21,22).
What are the key properties of 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine?
2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine has a molecular weight of 343.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine is sourced from PubChem (CID 110930670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).