1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

C16H24ClFN2 — CID 102620651

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cc(F)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24ClFN2/c1-4-14-10-20(16(8-19-14)11(2)3)9-12-7-13(18)5-6-15(12)17/h5-7,11,14,16,19H,4,8-10H2,1-3H3
InChIKeyWAFQLZNBLHHMPB-UHFFFAOYSA-N
MW298.83 g/mol
LogP3.69
Rot. Bonds4

About 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine

1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (PubChem CID 102620651) has the molecular formula C16H24ClFN2 and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
PubChem CID102620651
Molecular FormulaC16H24ClFN2
Molecular Weight298.83 g/mol
Exact Mass298.16
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
SMILESCCC1CN(Cc2cc(F)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C16H24ClFN2/c1-4-14-10-20(16(8-19-14)11(2)3)9-12-7-13(18)5-6-15(12)17/h5-7,11,14,16,19H,4,8-10H2,1-3H3
InChIKeyWAFQLZNBLHHMPB-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine (CID 102620651) is 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is CCC1CN(Cc2cc(F)ccc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
The InChIKey is WAFQLZNBLHHMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2/c1-4-14-10-20(16(8-19-14)11(2)3)9-12-7-13(18)5-6-15(12)17/h5-7,11,14,16,19H,4,8-10H2,1-3H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine?
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine has a molecular weight of 298.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 102620651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).