1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine

C8H14F2N2 — CID 164926715

IUPAC1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine
SMILESC=CN1CCC(NC)C(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-3-12-5-4-7(11-2)8(9,10)6-12/h3,7,11H,1,4-6H2,2H3
InChIKeyJLURICSZWNRMBT-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.06
Rot. Bonds2

About 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine

1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine (PubChem CID 164926715) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine
PubChem CID164926715
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine
SMILESC=CN1CCC(NC)C(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-3-12-5-4-7(11-2)8(9,10)6-12/h3,7,11H,1,4-6H2,2H3
InChIKeyJLURICSZWNRMBT-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine?
The IUPAC name of 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine (CID 164926715) is 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine?
The canonical SMILES for 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine is C=CN1CCC(NC)C(F)(F)C1.
What is the InChIKey of 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine?
The InChIKey is JLURICSZWNRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-3-12-5-4-7(11-2)8(9,10)6-12/h3,7,11H,1,4-6H2,2H3.
What are the key properties of 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine?
1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine has a molecular weight of 176.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine is sourced from PubChem (CID 164926715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).