3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine

C16H24N4 — CID 154752270

IUPAC3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
SMILESCn1ccc(CN2CCCC(Cc3nccn3C)C2)c1
InChIInChI=1S/C16H24N4/c1-18-8-5-15(11-18)13-20-7-3-4-14(12-20)10-16-17-6-9-19(16)2/h5-6,8-9,11,14H,3-4,7,10,12-13H2,1-2H3
InChIKeyIYAHASHLQSIVAA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.21
Rot. Bonds4

About 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine

3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine (PubChem CID 154752270) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
PubChem CID154752270
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
SMILESCn1ccc(CN2CCCC(Cc3nccn3C)C2)c1
InChIInChI=1S/C16H24N4/c1-18-8-5-15(11-18)13-20-7-3-4-14(12-20)10-16-17-6-9-19(16)2/h5-6,8-9,11,14H,3-4,7,10,12-13H2,1-2H3
InChIKeyIYAHASHLQSIVAA-UHFFFAOYSA-N
XLogP2.21
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
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
5-fluoro-2-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 86771061
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86791637
2-(4-bromophenyl)-5-[[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 97236232
[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 115882586
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine (CID 154752270) is 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine is Cn1ccc(CN2CCCC(Cc3nccn3C)C2)c1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine?
The InChIKey is IYAHASHLQSIVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-18-8-5-15(11-18)13-20-7-3-4-14(12-20)10-16-17-6-9-19(16)2/h5-6,8-9,11,14H,3-4,7,10,12-13H2,1-2H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine?
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine has a molecular weight of 272.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine is sourced from PubChem (CID 154752270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).