3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol

C9H18F2N2O — CID 163639842

IUPAC3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol
SMILESCN1CCN(CC(O)C(C)(F)F)CC1
InChIInChI=1S/C9H18F2N2O/c1-9(10,11)8(14)7-13-5-3-12(2)4-6-13/h8,14H,3-7H2,1-2H3
InChIKeyIDHNQSWYGMFRSO-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.25
Rot. Bonds3

About 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol

3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol (PubChem CID 163639842) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol
PubChem CID163639842
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol
SMILESCN1CCN(CC(O)C(C)(F)F)CC1
InChIInChI=1S/C9H18F2N2O/c1-9(10,11)8(14)7-13-5-3-12(2)4-6-13/h8,14H,3-7H2,1-2H3
InChIKeyIDHNQSWYGMFRSO-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol (CID 163639842) is 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol is CN1CCN(CC(O)C(C)(F)F)CC1.
What is the InChIKey of 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol?
The InChIKey is IDHNQSWYGMFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-9(10,11)8(14)7-13-5-3-12(2)4-6-13/h8,14H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol?
3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol has a molecular weight of 208.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(4-methylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 163639842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).