[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol

C12H16F2N2O — CID 55146978

IUPAC[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2c(F)cc(CO)cc2F)CC1
InChIInChI=1S/C12H16F2N2O/c1-15-2-4-16(5-3-15)12-10(13)6-9(8-17)7-11(12)14/h6-7,17H,2-5,8H2,1H3
InChIKeyYUVWEDDONAOSNB-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.21
Rot. Bonds2

About [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol

[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 55146978) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
PubChem CID55146978
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol
SMILESCN1CCN(c2c(F)cc(CO)cc2F)CC1
InChIInChI=1S/C12H16F2N2O/c1-15-2-4-16(5-3-15)12-10(13)6-9(8-17)7-11(12)14/h6-7,17H,2-5,8H2,1H3
InChIKeyYUVWEDDONAOSNB-UHFFFAOYSA-N
XLogP1.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol (CID 55146978) is [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol is CN1CCN(c2c(F)cc(CO)cc2F)CC1.
What is the InChIKey of [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is YUVWEDDONAOSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-15-2-4-16(5-3-15)12-10(13)6-9(8-17)7-11(12)14/h6-7,17H,2-5,8H2,1H3.
What are the key properties of [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol?
[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 242.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 55146978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).