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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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 43180162
(4aS,8aR)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95576057
3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998247
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 92817222
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 4701931
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
CID 107408411
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60820487
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]ethanamine
CID 115314933

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).