1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine

C9H18F2N2 — CID 62326719

IUPAC1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-12-6-8-2-4-13(5-3-8)7-9(10)11/h8-9,12H,2-7H2,1H3
InChIKeyJNIXODUNHAPTMP-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.18
Rot. Bonds4

About 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine

1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 62326719) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID62326719
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-12-6-8-2-4-13(5-3-8)7-9(10)11/h8-9,12H,2-7H2,1H3
InChIKeyJNIXODUNHAPTMP-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine (CID 62326719) is 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is JNIXODUNHAPTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-12-6-8-2-4-13(5-3-8)7-9(10)11/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 192.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).