4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol

C14H20F2N2O — CID 82979964

IUPAC4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
SMILESCCN1CCN(Cc2cc(F)c(O)c(F)c2)CC1C
InChIInChI=1S/C14H20F2N2O/c1-3-18-5-4-17(8-10(18)2)9-11-6-12(15)14(19)13(16)7-11/h6-7,10,19H,3-5,8-9H2,1-2H3
InChIKeyPESGKOUIPKHFKG-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.20
Rot. Bonds3

About 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol

4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol (PubChem CID 82979964) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
PubChem CID82979964
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
SMILESCCN1CCN(Cc2cc(F)c(O)c(F)c2)CC1C
InChIInChI=1S/C14H20F2N2O/c1-3-18-5-4-17(8-10(18)2)9-11-6-12(15)14(19)13(16)7-11/h6-7,10,19H,3-5,8-9H2,1-2H3
InChIKeyPESGKOUIPKHFKG-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol (CID 82979964) is 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol is CCN1CCN(Cc2cc(F)c(O)c(F)c2)CC1C.
What is the InChIKey of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol?
The InChIKey is PESGKOUIPKHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-18-5-4-17(8-10(18)2)9-11-6-12(15)14(19)13(16)7-11/h6-7,10,19H,3-5,8-9H2,1-2H3.
What are the key properties of 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol?
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol has a molecular weight of 270.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol is sourced from PubChem (CID 82979964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).