5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine

C16H25FN2 — CID 64848517

IUPAC5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2ccccc2F)C(C)(C)CN1
InChIInChI=1S/C16H25FN2/c1-5-16(4)12-19(15(2,3)11-18-16)10-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3
InChIKeyRCLRQYZPRFCYPV-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds3

About 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine

5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine (PubChem CID 64848517) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
PubChem CID64848517
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
SMILESCCC1(C)CN(Cc2ccccc2F)C(C)(C)CN1
InChIInChI=1S/C16H25FN2/c1-5-16(4)12-19(15(2,3)11-18-16)10-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3
InChIKeyRCLRQYZPRFCYPV-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
The IUPAC name of 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine (CID 64848517) is 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
The canonical SMILES for 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine is CCC1(C)CN(Cc2ccccc2F)C(C)(C)CN1.
What is the InChIKey of 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
The InChIKey is RCLRQYZPRFCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-16(4)12-19(15(2,3)11-18-16)10-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3.
What are the key properties of 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine?
5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-fluorophenyl)methyl]-2,2,5-trimethylpiperazine is sourced from PubChem (CID 64848517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).