2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine

C13H23N3 — CID 167299183

IUPAC2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
SMILESCCCN1CCCCC1Cn1ccnc1C
InChIInChI=1S/C13H23N3/c1-3-8-15-9-5-4-6-13(15)11-16-10-7-14-12(16)2/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyZDEHKXITPQLMLV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine

2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine (PubChem CID 167299183) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine.

Molecular Properties

Compound Name2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
PubChem CID167299183
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
SMILESCCCN1CCCCC1Cn1ccnc1C
InChIInChI=1S/C13H23N3/c1-3-8-15-9-5-4-6-13(15)11-16-10-7-14-12(16)2/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyZDEHKXITPQLMLV-UHFFFAOYSA-N
XLogP2.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
3-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 124616194
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80669869
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
4-[3-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]propyl]oxane-4-carbonitrile
CID 167771101
1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine?
The IUPAC name of 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine (CID 167299183) is 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine.
What is the SMILES notation for 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine?
The canonical SMILES for 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine is CCCN1CCCCC1Cn1ccnc1C.
What is the InChIKey of 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine?
The InChIKey is ZDEHKXITPQLMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-8-15-9-5-4-6-13(15)11-16-10-7-14-12(16)2/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine?
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine is sourced from PubChem (CID 167299183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).