2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

C15H21N3O — CID 94920556

IUPAC2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCOC[C@H]1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C15H21N3O/c1-19-12-13-5-4-7-17(9-13)10-14-11-18-8-3-2-6-15(18)16-14/h2-3,6,8,11,13H,4-5,7,9-10,12H2,1H3/t13-/m0/s1
InChIKeyHFVDDILPHNZXCT-ZDUSSCGKSA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds4

About 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 94920556) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID94920556
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCOC[C@H]1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C15H21N3O/c1-19-12-13-5-4-7-17(9-13)10-14-11-18-8-3-2-6-15(18)16-14/h2-3,6,8,11,13H,4-5,7,9-10,12H2,1H3/t13-/m0/s1
InChIKeyHFVDDILPHNZXCT-ZDUSSCGKSA-N
XLogP2.19
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
methyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62025948
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929
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-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728593

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 94920556) is 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is COC[C@H]1CCCN(Cc2cn3ccccc3n2)C1.
What is the InChIKey of 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is HFVDDILPHNZXCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-12-13-5-4-7-17(9-13)10-14-11-18-8-3-2-6-15(18)16-14/h2-3,6,8,11,13H,4-5,7,9-10,12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 259.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 94920556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).