1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine

C15H22ClFN2 — CID 64845519

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-4-15(3)10-18-11(2)8-19(15)9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyUXOAKBHGVUMHPT-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.44
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine

1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine (PubChem CID 64845519) 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-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
PubChem CID64845519
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CNC(C)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H22ClFN2/c1-4-15(3)10-18-11(2)8-19(15)9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3
InChIKeyUXOAKBHGVUMHPT-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

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
5-butan-2-yl-1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847095
1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
CID 115984472
1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
CID 102862439
6-[(2,6-difluorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 114934563
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
CID 64845606
1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
CID 114934587
1-[(2-bromophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845316
1-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64843838
1-[(3,5-dimethylphenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64846903
1-[(2,6-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64850045

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine (CID 64845519) is 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine is CCC1(C)CNC(C)CN1Cc1c(F)cccc1Cl.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
The InChIKey is UXOAKBHGVUMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-4-15(3)10-18-11(2)8-19(15)9-12-13(16)6-5-7-14(12)17/h5-7,11,18H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine?
1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine has a molecular weight of 284.81 g/mol, XLogP of 3.44, 3 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-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64845519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).