2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine

C18H25N3O — CID 23202756

IUPAC2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
SMILESc1ccc(OCCN2CCCCC2CCn2ccnc2)cc1
InChIInChI=1S/C18H25N3O/c1-2-7-18(8-3-1)22-15-14-21-11-5-4-6-17(21)9-12-20-13-10-19-16-20/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2
InChIKeyGZBAWEXXZQVBPM-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.21
Rot. Bonds7

About 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine

2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine (PubChem CID 23202756) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
PubChem CID23202756
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
SMILESc1ccc(OCCN2CCCCC2CCn2ccnc2)cc1
InChIInChI=1S/C18H25N3O/c1-2-7-18(8-3-1)22-15-14-21-11-5-4-6-17(21)9-12-20-13-10-19-16-20/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2
InChIKeyGZBAWEXXZQVBPM-UHFFFAOYSA-N
XLogP3.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42509063
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
4-[[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 70776727
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
2-[1-[2-(2-chlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690193
N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
2-[1-[2-(2-methylphenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690162
2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine
CID 95726729
3-[(2-chlorophenyl)methyl]-5-[[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95200978
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine?
The IUPAC name of 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine (CID 23202756) is 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine.
What is the SMILES notation for 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine?
The canonical SMILES for 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine is c1ccc(OCCN2CCCCC2CCn2ccnc2)cc1.
What is the InChIKey of 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine?
The InChIKey is GZBAWEXXZQVBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-7-18(8-3-1)22-15-14-21-11-5-4-6-17(21)9-12-20-13-10-19-16-20/h1-3,7-8,10,13,16-17H,4-6,9,11-12,14-15H2.
What are the key properties of 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine?
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine has a molecular weight of 299.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine is sourced from PubChem (CID 23202756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).