3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine

Name: 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₁F₂N — CID 123685991

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

IUPAC3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine

SMILESCN1CCCC(CC2C(F)=CC=CC2(C)F)C1

InChIInChI=1S/C14H21F2N/c1-14(16)7-3-6-13(15)12(14)9-11-5-4-8-17(2)10-11/h3,6-7,11-12H,4-5,8-10H2,1-2H3

InChIKeyUOTOCLCKWPMKHU-UHFFFAOYSA-N

MW241.32 g/mol

LogP3.49

Rot. Bonds2

About 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine

3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine (PubChem CID 123685991) has the molecular formula C₁₄H₂₁F₂N and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name	3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine
PubChem CID	123685991
Molecular Formula	C₁₄H₂₁F₂N
Molecular Weight	241.32 g/mol
Exact Mass	241.16
IUPAC Name	3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine
SMILES	CN1CCCC(CC2C(F)=CC=CC2(C)F)C1
InChI	InChI=1S/C14H21F2N/c1-14(16)7-3-6-13(15)12(14)9-11-5-4-8-17(2)10-11/h3,6-7,11-12H,4-5,8-10H2,1-2H3
InChIKey	UOTOCLCKWPMKHU-UHFFFAOYSA-N
XLogP	3.49
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.32
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine?

The IUPAC name of 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine (CID 123685991) is 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine.

What is the SMILES notation for 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine?

The canonical SMILES for 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine is CN1CCCC(CC2C(F)=CC=CC2(C)F)C1.

What is the InChIKey of 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine?

The InChIKey is UOTOCLCKWPMKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-14(16)7-3-6-13(15)12(14)9-11-5-4-8-17(2)10-11/h3,6-7,11-12H,4-5,8-10H2,1-2H3.

What are the key properties of 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine?

3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine has a molecular weight of 241.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine is sourced from PubChem (CID 123685991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123685991 — identifiers, structure, computed properties (public domain)

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