tert-butyl formate;(2R)-2-methyl-1-propylpiperazine

C13H28N2O2 — CID 174785842

IUPACtert-butyl formate;(2R)-2-methyl-1-propylpiperazine
SMILESCC(C)(C)OC=O.CCCN1CCNC[C@H]1C
InChIInChI=1S/C8H18N2.C5H10O2/c1-3-5-10-6-4-9-7-8(10)2;1-5(2,3)7-4-6/h8-9H,3-7H2,1-2H3;4H,1-3H3/t8-;/m1./s1
InChIKeyFIUUBVHIGSLLMJ-DDWIOCJRSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds3

About tert-butyl formate;(2R)-2-methyl-1-propylpiperazine

tert-butyl formate;(2R)-2-methyl-1-propylpiperazine (PubChem CID 174785842) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl formate;(2R)-2-methyl-1-propylpiperazine.

Molecular Properties

Compound Nametert-butyl formate;(2R)-2-methyl-1-propylpiperazine
PubChem CID174785842
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl formate;(2R)-2-methyl-1-propylpiperazine
SMILESCC(C)(C)OC=O.CCCN1CCNC[C@H]1C
InChIInChI=1S/C8H18N2.C5H10O2/c1-3-5-10-6-4-9-7-8(10)2;1-5(2,3)7-4-6/h8-9H,3-7H2,1-2H3;4H,1-3H3/t8-;/m1./s1
InChIKeyFIUUBVHIGSLLMJ-DDWIOCJRSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(2R)-2-methyl-1-propylpiperazine?
The IUPAC name of tert-butyl formate;(2R)-2-methyl-1-propylpiperazine (CID 174785842) is tert-butyl formate;(2R)-2-methyl-1-propylpiperazine.
What is the SMILES notation for tert-butyl formate;(2R)-2-methyl-1-propylpiperazine?
The canonical SMILES for tert-butyl formate;(2R)-2-methyl-1-propylpiperazine is CC(C)(C)OC=O.CCCN1CCNC[C@H]1C.
What is the InChIKey of tert-butyl formate;(2R)-2-methyl-1-propylpiperazine?
The InChIKey is FIUUBVHIGSLLMJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H18N2.C5H10O2/c1-3-5-10-6-4-9-7-8(10)2;1-5(2,3)7-4-6/h8-9H,3-7H2,1-2H3;4H,1-3H3/t8-;/m1./s1.
What are the key properties of tert-butyl formate;(2R)-2-methyl-1-propylpiperazine?
tert-butyl formate;(2R)-2-methyl-1-propylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(2R)-2-methyl-1-propylpiperazine is sourced from PubChem (CID 174785842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).