(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol

C24H32N4O — CID 98725832

IUPAC(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)CC1
InChIInChI=1S/C24H32N4O/c1-19(29)16-27-14-11-20(12-15-27)17-26(2)18-22-24(21-8-4-3-5-9-21)25-23-10-6-7-13-28(22)23/h3-10,13,19-20,29H,11-12,14-18H2,1-2H3/t19-/m0/s1
InChIKeyYCDCRNJTXIJYFS-IBGZPJMESA-N
MW392.55 g/mol
LogP3.53
Rot. Bonds7

About (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 98725832) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID98725832
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCC(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)CC1
InChIInChI=1S/C24H32N4O/c1-19(29)16-27-14-11-20(12-15-27)17-26(2)18-22-24(21-8-4-3-5-9-21)25-23-10-6-7-13-28(22)23/h3-10,13,19-20,29H,11-12,14-18H2,1-2H3/t19-/m0/s1
InChIKeyYCDCRNJTXIJYFS-IBGZPJMESA-N
XLogP3.53
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032
1-[4-[[methyl-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895121
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95339517
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
2-[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 40685218
1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 133401409
(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95340517
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064
2-(2-methoxyphenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 55868062
1-(3-methoxyphenyl)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 30136620

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 98725832) is (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol is C[C@H](O)CN1CCC(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)CC1.
What is the InChIKey of (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is YCDCRNJTXIJYFS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4O/c1-19(29)16-27-14-11-20(12-15-27)17-26(2)18-22-24(21-8-4-3-5-9-21)25-23-10-6-7-13-28(22)23/h3-10,13,19-20,29H,11-12,14-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 392.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 98725832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).