3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine

C16H23F2N — CID 116840323

IUPAC3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine
SMILESCc1cc(C)c(C(F)(F)CC2CCCNC2)c(C)c1
InChIInChI=1S/C16H23F2N/c1-11-7-12(2)15(13(3)8-11)16(17,18)9-14-5-4-6-19-10-14/h7-8,14,19H,4-6,9-10H2,1-3H3
InChIKeyUAXAYBQAYIMXDE-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.09
Rot. Bonds3

About 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine

3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine (PubChem CID 116840323) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine
PubChem CID116840323
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine
SMILESCc1cc(C)c(C(F)(F)CC2CCCNC2)c(C)c1
InChIInChI=1S/C16H23F2N/c1-11-7-12(2)15(13(3)8-11)16(17,18)9-14-5-4-6-19-10-14/h7-8,14,19H,4-6,9-10H2,1-3H3
InChIKeyUAXAYBQAYIMXDE-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790999
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
(3S)-3-[(4,5-dimethylfuran-2-yl)methyl]piperidine
CID 131093396
3-(2,2-dimethylpropyl)piperidine
CID 21041533
N-(piperidin-3-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106624469
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
3,3-difluoro-4-piperidin-3-ylbutan-2-ol
CID 105446942
4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
CID 105499355
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 116838895
4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
CID 116838804

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine?
The IUPAC name of 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine (CID 116840323) is 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine.
What is the SMILES notation for 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine?
The canonical SMILES for 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine is Cc1cc(C)c(C(F)(F)CC2CCCNC2)c(C)c1.
What is the InChIKey of 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine?
The InChIKey is UAXAYBQAYIMXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11-7-12(2)15(13(3)8-11)16(17,18)9-14-5-4-6-19-10-14/h7-8,14,19H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine?
3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine has a molecular weight of 267.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine is sourced from PubChem (CID 116840323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).