3-fluoro-2,2,4,6,6-pentamethylpiperidine

Name: 3-fluoro-2,2,4,6,6-pentamethylpiperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₂₀FN — CID 177202650

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

IUPAC3-fluoro-2,2,4,6,6-pentamethylpiperidine

SMILESCC1CC(C)(C)NC(C)(C)C1F

InChIInChI=1S/C10H20FN/c1-7-6-9(2,3)12-10(4,5)8(7)11/h7-8,12H,6H2,1-5H3

InChIKeyNZPWAQRVNWKYPS-UHFFFAOYSA-N

MW173.27 g/mol

LogP2.51

Rot. Bonds

About 3-fluoro-2,2,4,6,6-pentamethylpiperidine

3-fluoro-2,2,4,6,6-pentamethylpiperidine (PubChem CID 177202650) has the molecular formula C₁₀H₂₀FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 3-fluoro-2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name	3-fluoro-2,2,4,6,6-pentamethylpiperidine
PubChem CID	177202650
Molecular Formula	C₁₀H₂₀FN
Molecular Weight	173.27 g/mol
Exact Mass	173.16
IUPAC Name	3-fluoro-2,2,4,6,6-pentamethylpiperidine
SMILES	CC1CC(C)(C)NC(C)(C)C1F
InChI	InChI=1S/C10H20FN/c1-7-6-9(2,3)12-10(4,5)8(7)11/h7-8,12H,6H2,1-5H3
InChIKey	NZPWAQRVNWKYPS-UHFFFAOYSA-N
XLogP	2.51
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.27
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,4,6,6-pentamethylpiperidine?

The IUPAC name of 3-fluoro-2,2,4,6,6-pentamethylpiperidine (CID 177202650) is 3-fluoro-2,2,4,6,6-pentamethylpiperidine.

What is the SMILES notation for 3-fluoro-2,2,4,6,6-pentamethylpiperidine?

The canonical SMILES for 3-fluoro-2,2,4,6,6-pentamethylpiperidine is CC1CC(C)(C)NC(C)(C)C1F.

What is the InChIKey of 3-fluoro-2,2,4,6,6-pentamethylpiperidine?

The InChIKey is NZPWAQRVNWKYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-7-6-9(2,3)12-10(4,5)8(7)11/h7-8,12H,6H2,1-5H3.

What are the key properties of 3-fluoro-2,2,4,6,6-pentamethylpiperidine?

3-fluoro-2,2,4,6,6-pentamethylpiperidine has a molecular weight of 173.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 177202650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177202650 — identifiers, structure, computed properties (public domain)

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