(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine

C16H25FN2 — CID 23723049

IUPAC(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine
SMILESCCC(C)C1CNCCN1CCc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-13(2)16-12-18-8-10-19(16)9-7-14-5-4-6-15(17)11-14/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3
InChIKeyQNBKEARLHRXUOQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.69
Rot. Bonds5

About (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine

(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine (PubChem CID 23723049) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine
PubChem CID23723049
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine
SMILESCCC(C)C1CNCCN1CCc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-13(2)16-12-18-8-10-19(16)9-7-14-5-4-6-15(17)11-14/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3
InChIKeyQNBKEARLHRXUOQ-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine?
The IUPAC name of (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine (CID 23723049) is (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine?
The canonical SMILES for (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine is CCC(C)C1CNCCN1CCc1cccc(F)c1.
What is the InChIKey of (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine?
The InChIKey is QNBKEARLHRXUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13(2)16-12-18-8-10-19(16)9-7-14-5-4-6-15(17)11-14/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3.
What are the key properties of (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine?
(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 23723049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).