1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine

C14H20ClFN2 — CID 112734719

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine
SMILESCc1cc(N2CC(C)(C)NCC2C)c(Cl)cc1F
InChIInChI=1S/C14H20ClFN2/c1-9-5-13(11(15)6-12(9)16)18-8-14(3,4)17-7-10(18)2/h5-6,10,17H,7-8H2,1-4H3
InChIKeyISICFBLAGWQNSE-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.36
Rot. Bonds1

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine

1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine (PubChem CID 112734719) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine
PubChem CID112734719
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine
SMILESCc1cc(N2CC(C)(C)NCC2C)c(Cl)cc1F
InChIInChI=1S/C14H20ClFN2/c1-9-5-13(11(15)6-12(9)16)18-8-14(3,4)17-7-10(18)2/h5-6,10,17H,7-8H2,1-4H3
InChIKeyISICFBLAGWQNSE-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine (CID 112734719) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine is Cc1cc(N2CC(C)(C)NCC2C)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine?
The InChIKey is ISICFBLAGWQNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9-5-13(11(15)6-12(9)16)18-8-14(3,4)17-7-10(18)2/h5-6,10,17H,7-8H2,1-4H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine?
1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine has a molecular weight of 270.78 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine is sourced from PubChem (CID 112734719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).