1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine

C14H20ClFN2 — CID 166090717

IUPAC1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine
SMILESCC(C)c1cc(F)c(N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10(2)11-8-13(16)14(9-12(11)15)18-6-4-17(3)5-7-18/h8-10H,4-7H2,1-3H3
InChIKeyVYKAFMFCHAKNGG-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.35
Rot. Bonds2

About 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine

1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine (PubChem CID 166090717) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine
PubChem CID166090717
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine
SMILESCC(C)c1cc(F)c(N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10(2)11-8-13(16)14(9-12(11)15)18-6-4-17(3)5-7-18/h8-10H,4-7H2,1-3H3
InChIKeyVYKAFMFCHAKNGG-UHFFFAOYSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine (CID 166090717) is 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine is CC(C)c1cc(F)c(N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine?
The InChIKey is VYKAFMFCHAKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(2)11-8-13(16)14(9-12(11)15)18-6-4-17(3)5-7-18/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine?
1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine has a molecular weight of 270.78 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-4-propan-2-ylphenyl)-4-methylpiperazine is sourced from PubChem (CID 166090717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).