3,3-difluoro-1-hexylpiperidin-4-amine

C11H22F2N2 — CID 167126957

IUPAC3,3-difluoro-1-hexylpiperidin-4-amine
SMILESCCCCCCN1CCC(N)C(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-2-3-4-5-7-15-8-6-10(14)11(12,13)9-15/h10H,2-9,14H2,1H3
InChIKeyAZYOOBACCHFAOU-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.23
Rot. Bonds5

About 3,3-difluoro-1-hexylpiperidin-4-amine

3,3-difluoro-1-hexylpiperidin-4-amine (PubChem CID 167126957) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3,3-difluoro-1-hexylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-1-hexylpiperidin-4-amine
PubChem CID167126957
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name3,3-difluoro-1-hexylpiperidin-4-amine
SMILESCCCCCCN1CCC(N)C(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-2-3-4-5-7-15-8-6-10(14)11(12,13)9-15/h10H,2-9,14H2,1H3
InChIKeyAZYOOBACCHFAOU-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-hexylpiperidin-4-amine?
The IUPAC name of 3,3-difluoro-1-hexylpiperidin-4-amine (CID 167126957) is 3,3-difluoro-1-hexylpiperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-1-hexylpiperidin-4-amine?
The canonical SMILES for 3,3-difluoro-1-hexylpiperidin-4-amine is CCCCCCN1CCC(N)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-hexylpiperidin-4-amine?
The InChIKey is AZYOOBACCHFAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-2-3-4-5-7-15-8-6-10(14)11(12,13)9-15/h10H,2-9,14H2,1H3.
What are the key properties of 3,3-difluoro-1-hexylpiperidin-4-amine?
3,3-difluoro-1-hexylpiperidin-4-amine has a molecular weight of 220.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-hexylpiperidin-4-amine is sourced from PubChem (CID 167126957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).