[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol

C15H23FN2O — CID 62774818

IUPAC[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
SMILESCCC(C)N1CCN(c2ccc(F)cc2CO)CC1
InChIInChI=1S/C15H23FN2O/c1-3-12(2)17-6-8-18(9-7-17)15-5-4-14(16)10-13(15)11-19/h4-5,10,12,19H,3,6-9,11H2,1-2H3
InChIKeyDABGEEHYXFKNFE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.24
Rot. Bonds4

About [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol

[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol (PubChem CID 62774818) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
PubChem CID62774818
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
SMILESCCC(C)N1CCN(c2ccc(F)cc2CO)CC1
InChIInChI=1S/C15H23FN2O/c1-3-12(2)17-6-8-18(9-7-17)15-5-4-14(16)10-13(15)11-19/h4-5,10,12,19H,3,6-9,11H2,1-2H3
InChIKeyDABGEEHYXFKNFE-UHFFFAOYSA-N
XLogP2.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol?
The IUPAC name of [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol (CID 62774818) is [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol is CCC(C)N1CCN(c2ccc(F)cc2CO)CC1.
What is the InChIKey of [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol?
The InChIKey is DABGEEHYXFKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-12(2)17-6-8-18(9-7-17)15-5-4-14(16)10-13(15)11-19/h4-5,10,12,19H,3,6-9,11H2,1-2H3.
What are the key properties of [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol?
[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 62774818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).