1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine

C17H22F2N4 — CID 90533989

IUPAC1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCc1nccn1CCN1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N4/c1-14-20-4-5-23(14)11-10-21-6-8-22(9-7-21)13-15-2-3-16(18)17(19)12-15/h2-5,12H,6-11,13H2,1H3
InChIKeyHCTPUYIBSJRVHZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.29
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine

1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (PubChem CID 90533989) has the molecular formula C17H22F2N4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
PubChem CID90533989
Molecular FormulaC17H22F2N4
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCc1nccn1CCN1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N4/c1-14-20-4-5-23(14)11-10-21-6-8-22(9-7-21)13-15-2-3-16(18)17(19)12-15/h2-5,12H,6-11,13H2,1H3
InChIKeyHCTPUYIBSJRVHZ-UHFFFAOYSA-N
XLogP2.29
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine 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

formic acid;1-[2-(2-methylimidazol-1-yl)ethyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 172897333
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[(4-fluorophenyl)methylsulfonyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534098
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 65053964
1-(5-chloro-2-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534079
4-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-2-methyl-6-pyrazol-1-ylpyrimidine
CID 154581240
1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 171912522
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106565199

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (CID 90533989) is 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is Cc1nccn1CCN1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The InChIKey is HCTPUYIBSJRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4/c1-14-20-4-5-23(14)11-10-21-6-8-22(9-7-21)13-15-2-3-16(18)17(19)12-15/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine has a molecular weight of 320.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90533989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).