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

C16H24ClFN2 — CID 102620699

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2cc(F)ccc2Cl)C(C)(C)CN1
InChIInChI=1S/C16H24ClFN2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-8-13(18)6-7-14(12)17/h6-8,19H,5,9-11H2,1-4H3
InChIKeyROLKNWJJONIKTR-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.83
Rot. Bonds3

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

1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine (PubChem CID 102620699) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
PubChem CID102620699
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2cc(F)ccc2Cl)C(C)(C)CN1
InChIInChI=1S/C16H24ClFN2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-8-13(18)6-7-14(12)17/h6-8,19H,5,9-11H2,1-4H3
InChIKeyROLKNWJJONIKTR-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 102620737
1-[(3-chloro-4-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 103041811
1-[(2,3-dichlorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine
CID 107310506
5-ethyl-1-[(4-ethylphenyl)methyl]-2,2,5-trimethylpiperazine
CID 64850036
5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64848517
1-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 102620634
1-[(4-chloro-3-fluorophenyl)methyl]-5,5-diethyl-2,2-dimethylpiperazine
CID 107888674
1-[(2,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64850040
1-[(3,4-dichlorophenyl)methyl]-2,5-diethyl-2,5-dimethylpiperazine
CID 64849861
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 102620935
1-(2,2-difluoroethyl)-5-ethyl-2,2,5-trimethylpiperazine
CID 64849845
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871241

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine (CID 102620699) is 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine is CCC1(C)CN(Cc2cc(F)ccc2Cl)C(C)(C)CN1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
The InChIKey is ROLKNWJJONIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-5-16(4)11-20(15(2,3)10-19-16)9-12-8-13(18)6-7-14(12)17/h6-8,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine?
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2,2,5-trimethylpiperazine is sourced from PubChem (CID 102620699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).