2-heptyl-3-(trifluoromethyl)piperidine

Name: 2-heptyl-3-(trifluoromethyl)piperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₄F₃N — CID 106778365

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-heptyl-3-(trifluoromethyl)piperidine
PubChem CID	106778365
Molecular Formula	C₁₃H₂₄F₃N
Molecular Weight	251.34 g/mol
Exact Mass	251.19
IUPAC Name	2-heptyl-3-(trifluoromethyl)piperidine
SMILES	CCCCCCCC1NCCCC1C(F)(F)F
InChI	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
InChIKey	BNGHNPNSFRIYBM-UHFFFAOYSA-N
XLogP	4.28
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	6
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.34
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 106778365 — identifiers, structure, computed properties (public domain)

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