[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol

C16H23N3O2 — CID 86791646

IUPAC[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCn1ccnc1CC1CCCN(Cc2ccc(CO)o2)C1
InChIInChI=1S/C16H23N3O2/c1-18-8-6-17-16(18)9-13-3-2-7-19(10-13)11-14-4-5-15(12-20)21-14/h4-6,8,13,20H,2-3,7,9-12H2,1H3
InChIKeyJXRBIXRNEYYGPF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds5

About [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 86791646) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID86791646
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESCn1ccnc1CC1CCCN(Cc2ccc(CO)o2)C1
InChIInChI=1S/C16H23N3O2/c1-18-8-6-17-16(18)9-13-3-2-7-19(10-13)11-14-4-5-15(12-20)21-14/h4-6,8,13,20H,2-3,7,9-12H2,1H3
InChIKeyJXRBIXRNEYYGPF-UHFFFAOYSA-N
XLogP1.96
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 97101306
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
2-(4-bromophenyl)-5-[[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97236232
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
1-(2,6-dimethylmorpholin-4-yl)-2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 86771068
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 100904592
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 124625021
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408

Frequently Asked Questions

What is the IUPAC name of [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol (CID 86791646) is [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol is Cn1ccnc1CC1CCCN(Cc2ccc(CO)o2)C1.
What is the InChIKey of [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is JXRBIXRNEYYGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-8-6-17-16(18)9-13-3-2-7-19(10-13)11-14-4-5-15(12-20)21-14/h4-6,8,13,20H,2-3,7,9-12H2,1H3.
What are the key properties of [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 289.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 86791646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).