1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine

C8H16F2N2 — CID 155450433

IUPAC1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine
SMILESCNCN1CCC(F)(F)C(C)C1
InChIInChI=1S/C8H16F2N2/c1-7-5-12(6-11-2)4-3-8(7,9)10/h7,11H,3-6H2,1-2H3
InChIKeyQRDJDAAIWMSXHV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.14
Rot. Bonds2

About 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine

1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine (PubChem CID 155450433) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine
PubChem CID155450433
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine
SMILESCNCN1CCC(F)(F)C(C)C1
InChIInChI=1S/C8H16F2N2/c1-7-5-12(6-11-2)4-3-8(7,9)10/h7,11H,3-6H2,1-2H3
InChIKeyQRDJDAAIWMSXHV-UHFFFAOYSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine (CID 155450433) is 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine is CNCN1CCC(F)(F)C(C)C1.
What is the InChIKey of 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine?
The InChIKey is QRDJDAAIWMSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-7-5-12(6-11-2)4-3-8(7,9)10/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine?
1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine has a molecular weight of 178.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-3-methylpiperidin-1-yl)-N-methylmethanamine is sourced from PubChem (CID 155450433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).