tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine

C15H25N3O2 — CID 174649471

IUPACtert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine
SMILESCC(C)(C)OC=O.Cc1ncccc1N1CCNCC1
InChIInChI=1S/C10H15N3.C5H10O2/c1-9-10(3-2-4-12-9)13-7-5-11-6-8-13;1-5(2,3)7-4-6/h2-4,11H,5-8H2,1H3;4H,1-3H3
InChIKeyVOXNTDZSUSXFCZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine

tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine (PubChem CID 174649471) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Nametert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine
PubChem CID174649471
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine
SMILESCC(C)(C)OC=O.Cc1ncccc1N1CCNCC1
InChIInChI=1S/C10H15N3.C5H10O2/c1-9-10(3-2-4-12-9)13-7-5-11-6-8-13;1-5(2,3)7-4-6/h2-4,11H,5-8H2,1H3;4H,1-3H3
InChIKeyVOXNTDZSUSXFCZ-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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;1-(2-methyl-3-pyridinyl)piperazine?
The IUPAC name of tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine (CID 174649471) is tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine?
The canonical SMILES for tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine is CC(C)(C)OC=O.Cc1ncccc1N1CCNCC1.
What is the InChIKey of tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine?
The InChIKey is VOXNTDZSUSXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C5H10O2/c1-9-10(3-2-4-12-9)13-7-5-11-6-8-13;1-5(2,3)7-4-6/h2-4,11H,5-8H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine?
tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine has a molecular weight of 279.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(2-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 174649471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).