[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol

C13H18N4O — CID 60966758

IUPAC[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C13H18N4O/c18-10-11-2-6-16(7-3-11)8-12-9-17-5-1-4-14-13(17)15-12/h1,4-5,9,11,18H,2-3,6-8,10H2
InChIKeyOEKBCLRDVUZMIH-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.93
Rot. Bonds3

About [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol

[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 60966758) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID60966758
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C13H18N4O/c18-10-11-2-6-16(7-3-11)8-12-9-17-5-1-4-14-13(17)15-12/h1,4-5,9,11,18H,2-3,6-8,10H2
InChIKeyOEKBCLRDVUZMIH-UHFFFAOYSA-N
XLogP0.93
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
2-[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120967196
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
CID 23962454
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779767
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324
2-[[3-(4-fluorophenoxy)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 154801096
4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
CID 114430831
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 14518026

Frequently Asked Questions

What is the IUPAC name of [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol (CID 60966758) is [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol is OCC1CCN(Cc2cn3cccnc3n2)CC1.
What is the InChIKey of [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is OEKBCLRDVUZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-10-11-2-6-16(7-3-11)8-12-9-17-5-1-4-14-13(17)15-12/h1,4-5,9,11,18H,2-3,6-8,10H2.
What are the key properties of [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol?
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 246.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 60966758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).