tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate

C12H22F2N2O2 — CID 84711204

IUPACtert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC(F)F)C1CCCNC1
InChIInChI=1S/C12H22F2N2O2/c1-12(2,3)18-11(17)16(8-10(13)14)9-5-4-6-15-7-9/h9-10,15H,4-8H2,1-3H3
InChIKeyDZTYUFHLEYKZKV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate

tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate (PubChem CID 84711204) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
PubChem CID84711204
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC(F)F)C1CCCNC1
InChIInChI=1S/C12H22F2N2O2/c1-12(2,3)18-11(17)16(8-10(13)14)9-5-4-6-15-7-9/h9-10,15H,4-8H2,1-3H3
InChIKeyDZTYUFHLEYKZKV-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(azepan-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 141103196
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
CID 54456558
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
CID 103206367
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
N-(2,2-dimethylpropyl)-N-[(3R)-piperidin-3-yl]carbamate
CID 56924039
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]-piperidin-3-ylamino]acetamide
CID 112602463
[(2R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(3S)-pyrrolidin-3-yl]amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 69464162

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate (CID 84711204) is tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate is CC(C)(C)OC(=O)N(CC(F)F)C1CCCNC1.
What is the InChIKey of tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate?
The InChIKey is DZTYUFHLEYKZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-12(2,3)18-11(17)16(8-10(13)14)9-5-4-6-15-7-9/h9-10,15H,4-8H2,1-3H3.
What are the key properties of tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate?
tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 84711204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).