1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine

C15H22F2N2 — CID 178164768

IUPAC1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
SMILESCCc1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-4-12-9-13(16)15(14(17)10-12)19-7-5-18(6-8-19)11(2)3/h9-11H,4-8H2,1-3H3
InChIKeyIHQKSGIDUZHUQB-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine

1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine (PubChem CID 178164768) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
PubChem CID178164768
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine
SMILESCCc1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-4-12-9-13(16)15(14(17)10-12)19-7-5-18(6-8-19)11(2)3/h9-11H,4-8H2,1-3H3
InChIKeyIHQKSGIDUZHUQB-UHFFFAOYSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine (CID 178164768) is 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine is CCc1cc(F)c(N2CCN(C(C)C)CC2)c(F)c1.
What is the InChIKey of 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine?
The InChIKey is IHQKSGIDUZHUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-12-9-13(16)15(14(17)10-12)19-7-5-18(6-8-19)11(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine?
1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine has a molecular weight of 268.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2,6-difluorophenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 178164768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).