1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine

C15H22ClFN2 — CID 71174684

IUPAC1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESCCCCN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-2-3-7-18-8-10-19(11-9-18)12-13-14(16)5-4-6-15(13)17/h4-6H,2-3,7-12H2,1H3
InChIKeyMKIQXNRCOQBLAJ-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.40
Rot. Bonds5

About 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine

1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine (PubChem CID 71174684) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
PubChem CID71174684
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
SMILESCCCCN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H22ClFN2/c1-2-3-7-18-8-10-19(11-9-18)12-13-14(16)5-4-6-15(13)17/h4-6H,2-3,7-12H2,1H3
InChIKeyMKIQXNRCOQBLAJ-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]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

1-(2-chloroethyl)-4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane
CID 63387643
N-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 60505494
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 60622977
1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22195379
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 78792829
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
1-(2-adamantyl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 22193877
2-[(2S)-4-[(2-chloro-6-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 92770253

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine (CID 71174684) is 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine is CCCCN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
The InChIKey is MKIQXNRCOQBLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-3-7-18-8-10-19(11-9-18)12-13-14(16)5-4-6-15(13)17/h4-6H,2-3,7-12H2,1H3.
What are the key properties of 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine?
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine has a molecular weight of 284.81 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 71174684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).