(5,5-difluoro-1-methylpiperidin-2-yl)methanamine

C7H14F2N2 — CID 55296928

IUPAC(5,5-difluoro-1-methylpiperidin-2-yl)methanamine
SMILESCN1CC(F)(F)CCC1CN
InChIInChI=1S/C7H14F2N2/c1-11-5-7(8,9)3-2-6(11)4-10/h6H,2-5,10H2,1H3
InChIKeyQLLNFRBHYFKTNL-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.67
Rot. Bonds1

About (5,5-difluoro-1-methylpiperidin-2-yl)methanamine

(5,5-difluoro-1-methylpiperidin-2-yl)methanamine (PubChem CID 55296928) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (5,5-difluoro-1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(5,5-difluoro-1-methylpiperidin-2-yl)methanamine
PubChem CID55296928
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name(5,5-difluoro-1-methylpiperidin-2-yl)methanamine
SMILESCN1CC(F)(F)CCC1CN
InChIInChI=1S/C7H14F2N2/c1-11-5-7(8,9)3-2-6(11)4-10/h6H,2-5,10H2,1H3
InChIKeyQLLNFRBHYFKTNL-UHFFFAOYSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-1-methylpiperidin-2-yl)methanamine?
The IUPAC name of (5,5-difluoro-1-methylpiperidin-2-yl)methanamine (CID 55296928) is (5,5-difluoro-1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for (5,5-difluoro-1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for (5,5-difluoro-1-methylpiperidin-2-yl)methanamine is CN1CC(F)(F)CCC1CN.
What is the InChIKey of (5,5-difluoro-1-methylpiperidin-2-yl)methanamine?
The InChIKey is QLLNFRBHYFKTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-11-5-7(8,9)3-2-6(11)4-10/h6H,2-5,10H2,1H3.
What are the key properties of (5,5-difluoro-1-methylpiperidin-2-yl)methanamine?
(5,5-difluoro-1-methylpiperidin-2-yl)methanamine has a molecular weight of 164.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 55296928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).