1-[difluoro(piperidin-1-yl)methyl]piperidine

C11H20F2N2 — CID 23443576

IUPAC1-[difluoro(piperidin-1-yl)methyl]piperidine
SMILESFC(F)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20F2N2/c12-11(13,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H2
InChIKeyFYKFDFDOKZJYDK-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.51
Rot. Bonds2

About 1-[difluoro(piperidin-1-yl)methyl]piperidine

1-[difluoro(piperidin-1-yl)methyl]piperidine (PubChem CID 23443576) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-[difluoro(piperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[difluoro(piperidin-1-yl)methyl]piperidine
PubChem CID23443576
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name1-[difluoro(piperidin-1-yl)methyl]piperidine
SMILESFC(F)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20F2N2/c12-11(13,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H2
InChIKeyFYKFDFDOKZJYDK-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(piperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-[difluoro(piperidin-1-yl)methyl]piperidine (CID 23443576) is 1-[difluoro(piperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[difluoro(piperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-[difluoro(piperidin-1-yl)methyl]piperidine is FC(F)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-[difluoro(piperidin-1-yl)methyl]piperidine?
The InChIKey is FYKFDFDOKZJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c12-11(13,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H2.
What are the key properties of 1-[difluoro(piperidin-1-yl)methyl]piperidine?
1-[difluoro(piperidin-1-yl)methyl]piperidine has a molecular weight of 218.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(piperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 23443576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).