tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate

C14H27N3O3 — CID 167714594

IUPACtert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1COCC1N1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)16-8-11-9-19-10-12(11)17-6-4-15-5-7-17/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyHGDRUSXBZWYXPU-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.43
Rot. Bonds3

About tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate

tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate (PubChem CID 167714594) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate
PubChem CID167714594
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1COCC1N1CCNCC1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)16-8-11-9-19-10-12(11)17-6-4-15-5-7-17/h11-12,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyHGDRUSXBZWYXPU-UHFFFAOYSA-N
XLogP0.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
1-[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolan-3-yl]triazole-4-carboxylic acid
CID 171921086
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698
tert-butyl N-[[1-[2-(oxetan-3-yl)acetyl]piperidin-4-yl]methyl]carbamate
CID 142459312
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate (CID 167714594) is tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1COCC1N1CCNCC1.
What is the InChIKey of tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate?
The InChIKey is HGDRUSXBZWYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(18)16-8-11-9-19-10-12(11)17-6-4-15-5-7-17/h11-12,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate?
tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-piperazin-1-yloxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 167714594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).