1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine

C14H20ClFN2 — CID 107370881

IUPAC1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2cc(F)cc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C14H20ClFN2/c1-9(2)14-7-17-10(3)8-18(14)13-5-11(15)4-12(16)6-13/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyFEPTUAOJKXTRTM-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.30
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine

1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 107370881) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID107370881
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(c2cc(F)cc(Cl)c2)C(C(C)C)CN1
InChIInChI=1S/C14H20ClFN2/c1-9(2)14-7-17-10(3)8-18(14)13-5-11(15)4-12(16)6-13/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyFEPTUAOJKXTRTM-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine (CID 107370881) is 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(c2cc(F)cc(Cl)c2)C(C(C)C)CN1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is FEPTUAOJKXTRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9(2)14-7-17-10(3)8-18(14)13-5-11(15)4-12(16)6-13/h4-6,9-10,14,17H,7-8H2,1-3H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine?
1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 270.78 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 107370881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).