benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate

C13H16F2N2O2 — CID 124556141

IUPACbenzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNCC(F)(F)C1)OCc1ccccc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)6-11(7-16-9-13)17-12(18)19-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)/t11-/m1/s1
InChIKeyYEBTXCZKAQRPMH-LLVKDONJSA-N
MW270.28 g/mol
LogP1.91
Rot. Bonds3

About benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate

benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate (PubChem CID 124556141) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
PubChem CID124556141
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Namebenzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
SMILESO=C(N[C@H]1CNCC(F)(F)C1)OCc1ccccc1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)6-11(7-16-9-13)17-12(18)19-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)/t11-/m1/s1
InChIKeyYEBTXCZKAQRPMH-LLVKDONJSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
CID 171991675
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(5,5-difluorooxan-3-yl)carbamate;5,5-difluorooxan-3-amine
CID 159212303
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
benzyl N-[3-[(aminodiazenyl)methyl]-3-hydroxycyclobutyl]carbamate
CID 163966930
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate (CID 124556141) is benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate is O=C(N[C@H]1CNCC(F)(F)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
The InChIKey is YEBTXCZKAQRPMH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)6-11(7-16-9-13)17-12(18)19-8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H,17,18)/t11-/m1/s1.
What are the key properties of benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate has a molecular weight of 270.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate is sourced from PubChem (CID 124556141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).