3,3-difluoro-N-methylpiperidin-4-amine;ethane

C10H24F2N2 — CID 162525794

IUPAC3,3-difluoro-N-methylpiperidin-4-amine;ethane
SMILESCC.CC.CNC1CCNCC1(F)F
InChIInChI=1S/C6H12F2N2.2C2H6/c1-9-5-2-3-10-4-6(5,7)8;2*1-2/h5,9-10H,2-4H2,1H3;2*1-2H3
InChIKeyMXMHDJNJQRGECF-UHFFFAOYSA-N
MW210.31 g/mol
LogP2.26
Rot. Bonds1

About 3,3-difluoro-N-methylpiperidin-4-amine;ethane

3,3-difluoro-N-methylpiperidin-4-amine;ethane (PubChem CID 162525794) has the molecular formula C10H24F2N2 and a molecular weight of 210.31 g/mol. Its IUPAC name is 3,3-difluoro-N-methylpiperidin-4-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-methylpiperidin-4-amine;ethane
PubChem CID162525794
Molecular FormulaC10H24F2N2
Molecular Weight210.31 g/mol
Exact Mass210.19
IUPAC Name3,3-difluoro-N-methylpiperidin-4-amine;ethane
SMILESCC.CC.CNC1CCNCC1(F)F
InChIInChI=1S/C6H12F2N2.2C2H6/c1-9-5-2-3-10-4-6(5,7)8;2*1-2/h5,9-10H,2-4H2,1H3;2*1-2H3
InChIKeyMXMHDJNJQRGECF-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
The IUPAC name of 3,3-difluoro-N-methylpiperidin-4-amine;ethane (CID 162525794) is 3,3-difluoro-N-methylpiperidin-4-amine;ethane.
What is the SMILES notation for 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
The canonical SMILES for 3,3-difluoro-N-methylpiperidin-4-amine;ethane is CC.CC.CNC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
The InChIKey is MXMHDJNJQRGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2.2C2H6/c1-9-5-2-3-10-4-6(5,7)8;2*1-2/h5,9-10H,2-4H2,1H3;2*1-2H3.
What are the key properties of 3,3-difluoro-N-methylpiperidin-4-amine;ethane?
3,3-difluoro-N-methylpiperidin-4-amine;ethane has a molecular weight of 210.31 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylpiperidin-4-amine;ethane is sourced from PubChem (CID 162525794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).