1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine

C16H24ClFN2 — CID 102862439

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFN2/c1-4-16(5-2)11-19-12(3)9-20(16)10-13-7-6-8-14(17)15(13)18/h6-8,12,19H,4-5,9-11H2,1-3H3
InChIKeyHFZUIHBEBGXPTG-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.83
Rot. Bonds4

About 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine

1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine (PubChem CID 102862439) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
PubChem CID102862439
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine
SMILESCCC1(CC)CNC(C)CN1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H24ClFN2/c1-4-16(5-2)11-19-12(3)9-20(16)10-13-7-6-8-14(17)15(13)18/h6-8,12,19H,4-5,9-11H2,1-3H3
InChIKeyHFZUIHBEBGXPTG-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 102862525
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 103885963
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
1-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-2,5-dimethylpiperazine
CID 64845519
1-[(3-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 102862743
1-[(2-chloro-6-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64843935
2,2-diethyl-5-methyl-1-(thiophen-2-ylmethyl)piperazine
CID 64845724
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477
1-[(4-chloro-3-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 107888547
1-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 114489125
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
CID 64845606

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine (CID 102862439) is 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine is CCC1(CC)CNC(C)CN1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine?
The InChIKey is HFZUIHBEBGXPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-4-16(5-2)11-19-12(3)9-20(16)10-13-7-6-8-14(17)15(13)18/h6-8,12,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine?
1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-2,2-diethyl-5-methylpiperazine is sourced from PubChem (CID 102862439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).