tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine

C18H28N4O2 — CID 162125221

IUPACtert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)OC=O.CC(c1ccn2ccnc2c1)N1CCNCC1
InChIInChI=1S/C13H18N4.C5H10O2/c1-11(16-7-3-14-4-8-16)12-2-6-17-9-5-15-13(17)10-12;1-5(2,3)7-4-6/h2,5-6,9-11,14H,3-4,7-8H2,1H3;4H,1-3H3
InChIKeyZHXXGULSXRSPNO-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.26
Rot. Bonds3

About tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine

tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine (PubChem CID 162125221) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine
PubChem CID162125221
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Nametert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)OC=O.CC(c1ccn2ccnc2c1)N1CCNCC1
InChIInChI=1S/C13H18N4.C5H10O2/c1-11(16-7-3-14-4-8-16)12-2-6-17-9-5-15-13(17)10-12;1-5(2,3)7-4-6/h2,5-6,9-11,14H,3-4,7-8H2,1H3;4H,1-3H3
InChIKeyZHXXGULSXRSPNO-UHFFFAOYSA-N
XLogP2.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl formate;4-piperazin-1-ylpyridin-3-amine
CID 174601786
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CID 118911318
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CID 28798624
tert-butyl formate;1-[4-(piperazin-1-ylmethyl)phenyl]ethanamine
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CID 161061664

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine?
The IUPAC name of tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine (CID 162125221) is tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine is CC(C)(C)OC=O.CC(c1ccn2ccnc2c1)N1CCNCC1.
What is the InChIKey of tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine?
The InChIKey is ZHXXGULSXRSPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.C5H10O2/c1-11(16-7-3-14-4-8-16)12-2-6-17-9-5-15-13(17)10-12;1-5(2,3)7-4-6/h2,5-6,9-11,14H,3-4,7-8H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine?
tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine has a molecular weight of 332.45 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;7-(1-piperazin-1-ylethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162125221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).