1,3-difluoro-N-propan-2-ylpiperidin-4-amine

C8H16F2N2 — CID 174849475

IUPAC1,3-difluoro-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN(F)CC1F
InChIInChI=1S/C8H16F2N2/c1-6(2)11-8-3-4-12(10)5-7(8)9/h6-8,11H,3-5H2,1-2H3
InChIKeyITWLRHDIHLQVLF-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.28
Rot. Bonds2

About 1,3-difluoro-N-propan-2-ylpiperidin-4-amine

1,3-difluoro-N-propan-2-ylpiperidin-4-amine (PubChem CID 174849475) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,3-difluoro-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1,3-difluoro-N-propan-2-ylpiperidin-4-amine
PubChem CID174849475
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1,3-difluoro-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)NC1CCN(F)CC1F
InChIInChI=1S/C8H16F2N2/c1-6(2)11-8-3-4-12(10)5-7(8)9/h6-8,11H,3-5H2,1-2H3
InChIKeyITWLRHDIHLQVLF-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1,3-difluoro-N-propan-2-ylpiperidin-4-amine (CID 174849475) is 1,3-difluoro-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1,3-difluoro-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1,3-difluoro-N-propan-2-ylpiperidin-4-amine is CC(C)NC1CCN(F)CC1F.
What is the InChIKey of 1,3-difluoro-N-propan-2-ylpiperidin-4-amine?
The InChIKey is ITWLRHDIHLQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6(2)11-8-3-4-12(10)5-7(8)9/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1,3-difluoro-N-propan-2-ylpiperidin-4-amine?
1,3-difluoro-N-propan-2-ylpiperidin-4-amine has a molecular weight of 178.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 174849475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).