1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid

C17H20F3N3O2 — CID 71771164

IUPAC1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccn(-c2ccc(CN3CCNCC3)cc2)c1
InChIInChI=1S/C15H19N3.C2HF3O2/c1-2-10-18(9-1)15-5-3-14(4-6-15)13-17-11-7-16-8-12-17;3-2(4,5)1(6)7/h1-6,9-10,16H,7-8,11-13H2;(H,6,7)
InChIKeyXNWNXIALRDIBQX-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.52
Rot. Bonds3

About 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid

1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid (PubChem CID 71771164) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid
PubChem CID71771164
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccn(-c2ccc(CN3CCNCC3)cc2)c1
InChIInChI=1S/C15H19N3.C2HF3O2/c1-2-10-18(9-1)15-5-3-14(4-6-15)13-17-11-7-16-8-12-17;3-2(4,5)1(6)7/h1-6,9-10,16H,7-8,11-13H2;(H,6,7)
InChIKeyXNWNXIALRDIBQX-UHFFFAOYSA-N
XLogP2.52
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid 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

1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperazin-1-ylmethyl)phenyl]phenyl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 46829283
5-(piperazin-1-ylmethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306096
1-(1H-pyrrol-3-ylmethyl)-1,4-diazepane;2,2,2-trifluoroacetic acid
CID 173118557
4-(aminomethyl)-1-benzyl-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 167962262
1-[[4-(7-chloro-1-benzothiophen-2-yl)phenyl]methyl]piperazine;2,2,2-trifluoroacetic acid
CID 167801496
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
azane;1-benzylpiperazine
CID 174866973
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
5-methyl-N-[4-(piperazin-1-ylmethyl)phenyl]-1,3-thiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 172895064
4-(2-chlorophenyl)-2-[4-(piperazin-1-ylmethyl)phenyl]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154890008
2-hydroxy-2-[4-(piperazin-1-ylmethyl)phenyl]acetic acid
CID 117379200
2-(4-pyrrol-1-ylphenyl)ethane-1,1,1-tricarboxylic acid
CID 123438269

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid (CID 71771164) is 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccn(-c2ccc(CN3CCNCC3)cc2)c1.
What is the InChIKey of 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is XNWNXIALRDIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.C2HF3O2/c1-2-10-18(9-1)15-5-3-14(4-6-15)13-17-11-7-16-8-12-17;3-2(4,5)1(6)7/h1-6,9-10,16H,7-8,11-13H2;(H,6,7).
What are the key properties of 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 355.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrrol-1-ylphenyl)methyl]piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71771164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).