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

C15H25N3 — CID 86771066

IUPAC1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CC1CCCN(CC2CCC2)C1
InChIInChI=1S/C15H25N3/c1-17-9-7-16-15(17)10-14-6-3-8-18(12-14)11-13-4-2-5-13/h7,9,13-14H,2-6,8,10-12H2,1H3
InChIKeyBNBGDFIUBZGCJH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.47
Rot. Bonds4

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

1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine (PubChem CID 86771066) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
PubChem CID86771066
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
SMILESCn1ccnc1CC1CCCN(CC2CCC2)C1
InChIInChI=1S/C15H25N3/c1-17-9-7-16-15(17)10-14-6-3-8-18(12-14)11-13-4-2-5-13/h7,9,13-14H,2-6,8,10-12H2,1H3
InChIKeyBNBGDFIUBZGCJH-UHFFFAOYSA-N
XLogP2.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 124625021
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
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
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
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
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86791637
5-fluoro-2-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 86771061

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine (CID 86771066) is 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine is Cn1ccnc1CC1CCCN(CC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine?
The InChIKey is BNBGDFIUBZGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17-9-7-16-15(17)10-14-6-3-8-18(12-14)11-13-4-2-5-13/h7,9,13-14H,2-6,8,10-12H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine?
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine has a molecular weight of 247.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 86771066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).