2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C18H26N4O — CID 134011249

IUPAC2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESc1ccn2cc(CN3CCN(CC4CCCCO4)CC3)nc2c1
InChIInChI=1S/C18H26N4O/c1-3-7-22-14-16(19-18(22)6-1)13-20-8-10-21(11-9-20)15-17-5-2-4-12-23-17/h1,3,6-7,14,17H,2,4-5,8-13,15H2
InChIKeyZJVIYRHOJAHAFA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.02
Rot. Bonds4

About 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 134011249) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID134011249
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESc1ccn2cc(CN3CCN(CC4CCCCO4)CC3)nc2c1
InChIInChI=1S/C18H26N4O/c1-3-7-22-14-16(19-18(22)6-1)13-20-8-10-21(11-9-20)15-17-5-2-4-12-23-17/h1,3,6-7,14,17H,2,4-5,8-13,15H2
InChIKeyZJVIYRHOJAHAFA-UHFFFAOYSA-N
XLogP2.02
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 134011249) is 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is c1ccn2cc(CN3CCN(CC4CCCCO4)CC3)nc2c1.
What is the InChIKey of 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ZJVIYRHOJAHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-7-22-14-16(19-18(22)6-1)13-20-8-10-21(11-9-20)15-17-5-2-4-12-23-17/h1,3,6-7,14,17H,2,4-5,8-13,15H2.
What are the key properties of 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 314.43 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxan-2-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 134011249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).