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

C10H18F2N2O2 — CID 97291627

IUPACtert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-7-4-10(11,12)6-13-5-7/h7,13H,4-6H2,1-3H3,(H,14,15)/t7-/m1/s1
InChIKeyNZEASWFMIYVAAZ-SSDOTTSWSA-N
MW236.26 g/mol
LogP1.51
Rot. Bonds1

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

tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate (PubChem CID 97291627) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
PubChem CID97291627
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-7-4-10(11,12)6-13-5-7/h7,13H,4-6H2,1-3H3,(H,14,15)/t7-/m1/s1
InChIKeyNZEASWFMIYVAAZ-SSDOTTSWSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(7S)-5-azaspiro[2.5]octan-7-yl]carbamate
CID 71206020
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
CID 146599209
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 99646092

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate (CID 97291627) is tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CNCC(F)(F)C1.
What is the InChIKey of tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
The InChIKey is NZEASWFMIYVAAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-7-4-10(11,12)6-13-5-7/h7,13H,4-6H2,1-3H3,(H,14,15)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate?
tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate has a molecular weight of 236.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate is sourced from PubChem (CID 97291627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).