tert-butyl 4-formyloxypiperazine-1-carboxylate

C10H18N2O4 — CID 22380553

IUPACtert-butyl 4-formyloxypiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(OC=O)CC1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)11-4-6-12(7-5-11)15-8-13/h8H,4-7H2,1-3H3
InChIKeyOWOUBRSQHGJSNT-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.63
Rot. Bonds2

About tert-butyl 4-formyloxypiperazine-1-carboxylate

tert-butyl 4-formyloxypiperazine-1-carboxylate (PubChem CID 22380553) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl 4-formyloxypiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyloxypiperazine-1-carboxylate
PubChem CID22380553
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl 4-formyloxypiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(OC=O)CC1
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)11-4-6-12(7-5-11)15-8-13/h8H,4-7H2,1-3H3
InChIKeyOWOUBRSQHGJSNT-UHFFFAOYSA-N
XLogP0.63
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 20716162
tert-butyl 4-ethanethioylpiperazine-1-carboxylate
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tert-butyl 4-tert-butylpiperazine-1-carboxylate;methane
CID 161367043
tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane
CID 123541126
azane;tert-butyl piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyloxypiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-formyloxypiperazine-1-carboxylate (CID 22380553) is tert-butyl 4-formyloxypiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-formyloxypiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-formyloxypiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(OC=O)CC1.
What is the InChIKey of tert-butyl 4-formyloxypiperazine-1-carboxylate?
The InChIKey is OWOUBRSQHGJSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)11-4-6-12(7-5-11)15-8-13/h8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-formyloxypiperazine-1-carboxylate?
tert-butyl 4-formyloxypiperazine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyloxypiperazine-1-carboxylate is sourced from PubChem (CID 22380553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).