ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate

C15H19F2NO2 — CID 124709143

IUPACethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CCN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C15H19F2NO2/c1-2-20-14(19)13-8-9-18(11-15(13,16)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyHFKGACYIZJLSHM-CYBMUJFWSA-N
MW283.32 g/mol
LogP2.71
Rot. Bonds4

About ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate

ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate (PubChem CID 124709143) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
PubChem CID124709143
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate
SMILESCCOC(=O)[C@H]1CCN(Cc2ccccc2)CC1(F)F
InChIInChI=1S/C15H19F2NO2/c1-2-20-14(19)13-8-9-18(11-15(13,16)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1
InChIKeyHFKGACYIZJLSHM-CYBMUJFWSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-benzyl-5-azaspiro[2.5]octane-8-carboxylate
CID 135289880
(4S)-1-benzyl-3,3-difluoropiperidine-4-carboxylic acid
CID 124674456
diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl (3R)-1-benzyl-5,5-difluoro-4-oxopiperidine-3-carboxylate
CID 86328916
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
ethyl 2-(1-benzyl-3,3-difluoropiperidin-4-ylidene)acetate
CID 131847408
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate?
The IUPAC name of ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate (CID 124709143) is ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate is CCOC(=O)[C@H]1CCN(Cc2ccccc2)CC1(F)F.
What is the InChIKey of ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate?
The InChIKey is HFKGACYIZJLSHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-20-14(19)13-8-9-18(11-15(13,16)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1.
What are the key properties of ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate?
ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-1-benzyl-3,3-difluoropiperidine-4-carboxylate is sourced from PubChem (CID 124709143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).