1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol

C22H27FN2O — CID 91534062

IUPAC1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol
SMILESCN1CCN(c2ccc(F)cc2Cc2ccccc2C2(O)CCC2)CC1
InChIInChI=1S/C22H27FN2O/c1-24-11-13-25(14-12-24)21-8-7-19(23)16-18(21)15-17-5-2-3-6-20(17)22(26)9-4-10-22/h2-3,5-8,16,26H,4,9-15H2,1H3
InChIKeyCVURREOMHRHFDP-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol

1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol (PubChem CID 91534062) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol
PubChem CID91534062
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol
SMILESCN1CCN(c2ccc(F)cc2Cc2ccccc2C2(O)CCC2)CC1
InChIInChI=1S/C22H27FN2O/c1-24-11-13-25(14-12-24)21-8-7-19(23)16-18(21)15-17-5-2-3-6-20(17)22(26)9-4-10-22/h2-3,5-8,16,26H,4,9-15H2,1H3
InChIKeyCVURREOMHRHFDP-UHFFFAOYSA-N
XLogP3.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol (CID 91534062) is 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol is CN1CCN(c2ccc(F)cc2Cc2ccccc2C2(O)CCC2)CC1.
What is the InChIKey of 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol?
The InChIKey is CVURREOMHRHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-24-11-13-25(14-12-24)21-8-7-19(23)16-18(21)15-17-5-2-3-6-20(17)22(26)9-4-10-22/h2-3,5-8,16,26H,4,9-15H2,1H3.
What are the key properties of 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol?
1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol has a molecular weight of 354.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methyl]phenyl]cyclobutan-1-ol is sourced from PubChem (CID 91534062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).