1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine

C13H18ClFN2 — CID 64924670

IUPAC1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(F)cc2Cl)CCN1
InChIInChI=1S/C13H18ClFN2/c1-9(2)12-8-17(6-5-16-12)13-4-3-10(15)7-11(13)14/h3-4,7,9,12,16H,5-6,8H2,1-2H3
InChIKeyGNIJLIGXRFRDQD-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.91
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine

1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine (PubChem CID 64924670) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
PubChem CID64924670
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(F)cc2Cl)CCN1
InChIInChI=1S/C13H18ClFN2/c1-9(2)12-8-17(6-5-16-12)13-4-3-10(15)7-11(13)14/h3-4,7,9,12,16H,5-6,8H2,1-2H3
InChIKeyGNIJLIGXRFRDQD-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.91
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-fluorophenyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine (CID 64924670) is 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine is CC(C)C1CN(c2ccc(F)cc2Cl)CCN1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine?
The InChIKey is GNIJLIGXRFRDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9(2)12-8-17(6-5-16-12)13-4-3-10(15)7-11(13)14/h3-4,7,9,12,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine?
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine has a molecular weight of 256.75 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 64924670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).