(2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine

C16H25FN2 — CID 23641164

IUPAC(2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine
SMILESCCCC[C@@H]1CNCCN1CCc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-2-3-7-16-13-18-9-11-19(16)10-8-14-5-4-6-15(17)12-14/h4-6,12,16,18H,2-3,7-11,13H2,1H3/t16-/m1/s1
InChIKeyZXIZBGPIFSHIOD-MRXNPFEDSA-N
MW264.39 g/mol
LogP2.83
Rot. Bonds6

About (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine

(2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine (PubChem CID 23641164) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name(2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine
PubChem CID23641164
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine
SMILESCCCC[C@@H]1CNCCN1CCc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-2-3-7-16-13-18-9-11-19(16)10-8-14-5-4-6-15(17)12-14/h4-6,12,16,18H,2-3,7-11,13H2,1H3/t16-/m1/s1
InChIKeyZXIZBGPIFSHIOD-MRXNPFEDSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine?
The IUPAC name of (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine (CID 23641164) is (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine?
The canonical SMILES for (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine is CCCC[C@@H]1CNCCN1CCc1cccc(F)c1.
What is the InChIKey of (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine?
The InChIKey is ZXIZBGPIFSHIOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-3-7-16-13-18-9-11-19(16)10-8-14-5-4-6-15(17)12-14/h4-6,12,16,18H,2-3,7-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine?
(2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 23641164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).