tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate

C13H24N2O3 — CID 56604304

IUPACtert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2COC2)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-6-4-10(5-7-15)14-11-8-17-9-11/h10-11,14H,4-9H2,1-3H3
InChIKeySRLOABIBNBVMQB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate

tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate (PubChem CID 56604304) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate
PubChem CID56604304
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2COC2)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-6-4-10(5-7-15)14-11-8-17-9-11/h10-11,14H,4-9H2,1-3H3
InChIKeySRLOABIBNBVMQB-UHFFFAOYSA-N
XLogP1.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate (CID 56604304) is tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2COC2)CC1.
What is the InChIKey of tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate?
The InChIKey is SRLOABIBNBVMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)15-6-4-10(5-7-15)14-11-8-17-9-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(oxetan-3-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 56604304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).