1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine

C15H22ClFN2 — CID 64845606

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
SMILESCCC1(CC)CNCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-3-15(4-2)11-18-8-9-19(15)10-12-13(16)6-5-7-14(12)17/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyKFICTONVNRTJQM-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine

1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine (PubChem CID 64845606) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
PubChem CID64845606
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
SMILESCCC1(CC)CNCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-3-15(4-2)11-18-8-9-19(15)10-12-13(16)6-5-7-14(12)17/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyKFICTONVNRTJQM-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine 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-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845519
2,2-diethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79261513
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-2-methylpiperazine
CID 82713463
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64838030
2-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 64832751
1-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64843838
2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 7380586
5-butan-2-yl-1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847095
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine (CID 64845606) is 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine is CCC1(CC)CNCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine?
The InChIKey is KFICTONVNRTJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-15(4-2)11-18-8-9-19(15)10-12-13(16)6-5-7-14(12)17/h5-7,18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine is sourced from PubChem (CID 64845606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).