1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane

C12H25F2N3 — CID 177029060

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane
SMILESCC.CN1CCC(N2CCNCC2)C(F)(F)C1
InChIInChI=1S/C10H19F2N3.C2H6/c1-14-5-2-9(10(11,12)8-14)15-6-3-13-4-7-15;1-2/h9,13H,2-8H2,1H3;1-2H3
InChIKeyFIJWRLIONMKELQ-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.26
Rot. Bonds1

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane

1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane (PubChem CID 177029060) has the molecular formula C12H25F2N3 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane
PubChem CID177029060
Molecular FormulaC12H25F2N3
Molecular Weight249.35 g/mol
Exact Mass249.20
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane
SMILESCC.CN1CCC(N2CCNCC2)C(F)(F)C1
InChIInChI=1S/C10H19F2N3.C2H6/c1-14-5-2-9(10(11,12)8-14)15-6-3-13-4-7-15;1-2/h9,13H,2-8H2,1H3;1-2H3
InChIKeyFIJWRLIONMKELQ-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane (CID 177029060) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane is CC.CN1CCC(N2CCNCC2)C(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?
The InChIKey is FIJWRLIONMKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3.C2H6/c1-14-5-2-9(10(11,12)8-14)15-6-3-13-4-7-15;1-2/h9,13H,2-8H2,1H3;1-2H3.
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane?
1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane has a molecular weight of 249.35 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)piperazine;ethane is sourced from PubChem (CID 177029060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).