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

C14H21F2N — CID 123685991

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 Name3-[(2,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidine
PubChem CID123685991
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name3-[(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
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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).