2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine

C16H23FN2 — CID 64841946

IUPAC2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(F)cc2)C(C2CC2)CN1
InChIInChI=1S/C16H23FN2/c1-2-15-11-19(16(9-18-15)13-5-6-13)10-12-3-7-14(17)8-4-12/h3-4,7-8,13,15-16,18H,2,5-6,9-11H2,1H3
InChIKeyNEEKLMUWQSOONL-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.79
Rot. Bonds4

About 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine

2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine (PubChem CID 64841946) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine
PubChem CID64841946
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine
SMILESCCC1CN(Cc2ccc(F)cc2)C(C2CC2)CN1
InChIInChI=1S/C16H23FN2/c1-2-15-11-19(16(9-18-15)13-5-6-13)10-12-3-7-14(17)8-4-12/h3-4,7-8,13,15-16,18H,2,5-6,9-11H2,1H3
InChIKeyNEEKLMUWQSOONL-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine (CID 64841946) is 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine is CCC1CN(Cc2ccc(F)cc2)C(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is NEEKLMUWQSOONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-2-15-11-19(16(9-18-15)13-5-6-13)10-12-3-7-14(17)8-4-12/h3-4,7-8,13,15-16,18H,2,5-6,9-11H2,1H3.
What are the key properties of 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine?
2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 262.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-1-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 64841946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).