1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine

C13H17F3N2 — CID 118938536

IUPAC1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESNC1CCN(CC(F)(F)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17F3N2/c14-11-3-1-10(2-4-11)13(15,16)9-18-7-5-12(17)6-8-18/h1-4,12H,5-9,17H2
InChIKeyXABDUKQIRGURSX-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.34
Rot. Bonds3

About 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine

1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 118938536) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID118938536
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESNC1CCN(CC(F)(F)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17F3N2/c14-11-3-1-10(2-4-11)13(15,16)9-18-7-5-12(17)6-8-18/h1-4,12H,5-9,17H2
InChIKeyXABDUKQIRGURSX-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 118938536) is 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine is NC1CCN(CC(F)(F)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is XABDUKQIRGURSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-11-3-1-10(2-4-11)13(15,16)9-18-7-5-12(17)6-8-18/h1-4,12H,5-9,17H2.
What are the key properties of 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine?
1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 118938536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).