benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate

C15H19F2NO2 — CID 175946154

IUPACbenzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(F)(F)C[C@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19F2NO2/c1-11-8-15(16,17)9-12(2)18(11)14(19)20-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+
InChIKeyJFYVKOYIBBXVRR-TXEJJXNPSA-N
MW283.32 g/mol
LogP3.83
Rot. Bonds2

About benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate

benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 175946154) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
PubChem CID175946154
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namebenzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(F)(F)C[C@H](C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19F2NO2/c1-11-8-15(16,17)9-12(2)18(11)14(19)20-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+
InChIKeyJFYVKOYIBBXVRR-TXEJJXNPSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
3-hydroxy-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 155894007
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
benzyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]-5-methylpyrrolidine-1-carboxylate
CID 23626155
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
benzyl (2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58786847
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 167742193

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate (CID 175946154) is benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate is C[C@@H]1CC(F)(F)C[C@H](C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is JFYVKOYIBBXVRR-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-11-8-15(16,17)9-12(2)18(11)14(19)20-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12+.
What are the key properties of benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate?
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 175946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).