2,2-difluoro-4-piperidin-1-ylbutan-1-amine

C9H18F2N2 — CID 69130450

IUPAC2,2-difluoro-4-piperidin-1-ylbutan-1-amine
SMILESNCC(F)(F)CCN1CCCCC1
InChIInChI=1S/C9H18F2N2/c10-9(11,8-12)4-7-13-5-2-1-3-6-13/h1-8,12H2
InChIKeyONCQXTZTBDBKHW-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.46
Rot. Bonds4

About 2,2-difluoro-4-piperidin-1-ylbutan-1-amine

2,2-difluoro-4-piperidin-1-ylbutan-1-amine (PubChem CID 69130450) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2,2-difluoro-4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-4-piperidin-1-ylbutan-1-amine
PubChem CID69130450
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2,2-difluoro-4-piperidin-1-ylbutan-1-amine
SMILESNCC(F)(F)CCN1CCCCC1
InChIInChI=1S/C9H18F2N2/c10-9(11,8-12)4-7-13-5-2-1-3-6-13/h1-8,12H2
InChIKeyONCQXTZTBDBKHW-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-piperidin-1-ylbutan-1-amine?
The IUPAC name of 2,2-difluoro-4-piperidin-1-ylbutan-1-amine (CID 69130450) is 2,2-difluoro-4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 2,2-difluoro-4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 2,2-difluoro-4-piperidin-1-ylbutan-1-amine is NCC(F)(F)CCN1CCCCC1.
What is the InChIKey of 2,2-difluoro-4-piperidin-1-ylbutan-1-amine?
The InChIKey is ONCQXTZTBDBKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11,8-12)4-7-13-5-2-1-3-6-13/h1-8,12H2.
What are the key properties of 2,2-difluoro-4-piperidin-1-ylbutan-1-amine?
2,2-difluoro-4-piperidin-1-ylbutan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 69130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).