tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate

C10H20N2O2 — CID 87125599

IUPACtert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate
SMILES[2H]N1CCC(NC(=O)OC(C)(C)C)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/i4D2,6D2/hD
InChIKeyCKXZPVPIDOJLLM-AZVCMLDQSA-N
MW205.31 g/mol
LogP1.26
Rot. Bonds1

About tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate

tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate (PubChem CID 87125599) has the molecular formula C10H20N2O2 and a molecular weight of 205.31 g/mol. Its IUPAC name is tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate
PubChem CID87125599
Molecular FormulaC10H20N2O2
Molecular Weight205.31 g/mol
Exact Mass205.18
IUPAC Nametert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate
SMILES[2H]N1CCC(NC(=O)OC(C)(C)C)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/i4D2,6D2/hD
InChIKeyCKXZPVPIDOJLLM-AZVCMLDQSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(3S)-thiolan-3-yl]carbamate
CID 15148694
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-piperidin-1-ium-4-ylcarbamate
CID 6927761
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877
tert-butyl N-[(3aS,5R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]carbamate
CID 124709566
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate (CID 87125599) is tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate is [2H]N1CCC(NC(=O)OC(C)(C)C)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate?
The InChIKey is CKXZPVPIDOJLLM-AZVCMLDQSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)/i4D2,6D2/hD.
What are the key properties of tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate?
tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate has a molecular weight of 205.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate is sourced from PubChem (CID 87125599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).