2-heptyl-3-(trifluoromethyl)piperidine

C13H24F3N — CID 106778365

IUPAC2-heptyl-3-(trifluoromethyl)piperidine
SMILESCCCCCCCC1NCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-2-3-4-5-6-9-12-11(13(14,15)16)8-7-10-17-12/h11-12,17H,2-10H2,1H3
InChIKeyBNGHNPNSFRIYBM-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.28
Rot. Bonds6

About 2-heptyl-3-(trifluoromethyl)piperidine

2-heptyl-3-(trifluoromethyl)piperidine (PubChem CID 106778365) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-heptyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-heptyl-3-(trifluoromethyl)piperidine
PubChem CID106778365
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name2-heptyl-3-(trifluoromethyl)piperidine
SMILESCCCCCCCC1NCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-2-3-4-5-6-9-12-11(13(14,15)16)8-7-10-17-12/h11-12,17H,2-10H2,1H3
InChIKeyBNGHNPNSFRIYBM-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-heptyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-heptyl-3-(trifluoromethyl)piperidine (CID 106778365) is 2-heptyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-heptyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-heptyl-3-(trifluoromethyl)piperidine is CCCCCCCC1NCCCC1C(F)(F)F.
What is the InChIKey of 2-heptyl-3-(trifluoromethyl)piperidine?
The InChIKey is BNGHNPNSFRIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-2-3-4-5-6-9-12-11(13(14,15)16)8-7-10-17-12/h11-12,17H,2-10H2,1H3.
What are the key properties of 2-heptyl-3-(trifluoromethyl)piperidine?
2-heptyl-3-(trifluoromethyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).