2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine

C16H25FN2 — CID 114349534

IUPAC2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccc(F)cc1C
InChIInChI=1S/C16H25FN2/c1-4-12(2)16-10-18-7-8-19(16)11-14-5-6-15(17)9-13(14)3/h5-6,9,12,16,18H,4,7-8,10-11H2,1-3H3
InChIKeyNBQOVKOVBAUUHG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.95
Rot. Bonds4

About 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine

2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine (PubChem CID 114349534) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
PubChem CID114349534
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccc(F)cc1C
InChIInChI=1S/C16H25FN2/c1-4-12(2)16-10-18-7-8-19(16)11-14-5-6-15(17)9-13(14)3/h5-6,9,12,16,18H,4,7-8,10-11H2,1-3H3
InChIKeyNBQOVKOVBAUUHG-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine (CID 114349534) is 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine is CCC(C)C1CNCCN1Cc1ccc(F)cc1C.
What is the InChIKey of 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
The InChIKey is NBQOVKOVBAUUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-12(2)16-10-18-7-8-19(16)11-14-5-6-15(17)9-13(14)3/h5-6,9,12,16,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine?
2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine has a molecular weight of 264.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 114349534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).