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

C13H25N3O3 — CID 155973879

IUPACtert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@H]1N1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(17)15-10-8-18-9-11(10)16-6-4-14-5-7-16/h10-11,14H,4-9H2,1-3H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyZFXRZDKYOHRVDO-GHMZBOCLSA-N
MW271.36 g/mol
LogP0.18
Rot. Bonds2

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

tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate (PubChem CID 155973879) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate
PubChem CID155973879
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@H]1N1CCNCC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(17)15-10-8-18-9-11(10)16-6-4-14-5-7-16/h10-11,14H,4-9H2,1-3H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyZFXRZDKYOHRVDO-GHMZBOCLSA-N
XLogP0.18
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate (CID 155973879) is tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1N1CCNCC1.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate?
The InChIKey is ZFXRZDKYOHRVDO-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)19-12(17)15-10-8-18-9-11(10)16-6-4-14-5-7-16/h10-11,14H,4-9H2,1-3H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-piperazin-1-yloxolan-3-yl]carbamate is sourced from PubChem (CID 155973879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).