2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine

C16H21N3O — CID 43651095

IUPAC2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
SMILESCCOc1ccccc1-c1cnc(C2CCCCN2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15-9-4-3-7-12(15)14-11-18-16(19-14)13-8-5-6-10-17-13/h3-4,7,9,11,13,17H,2,5-6,8,10H2,1H3,(H,18,19)
InChIKeyUNWWAGCBOYOUSV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.29
Rot. Bonds4

About 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine

2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine (PubChem CID 43651095) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
PubChem CID43651095
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
SMILESCCOc1ccccc1-c1cnc(C2CCCCN2)[nH]1
InChIInChI=1S/C16H21N3O/c1-2-20-15-9-4-3-7-12(15)14-11-18-16(19-14)13-8-5-6-10-17-13/h3-4,7,9,11,13,17H,2,5-6,8,10H2,1H3,(H,18,19)
InChIKeyUNWWAGCBOYOUSV-UHFFFAOYSA-N
XLogP3.29
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255754
5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 43650697
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
5-(3-chloro-2-methylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 138691138
5-fluoro-2-(2-piperidin-2-yl-1H-imidazol-5-yl)pyridine
CID 83124993
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole
CID 64992969
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine (CID 43651095) is 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine is CCOc1ccccc1-c1cnc(C2CCCCN2)[nH]1.
What is the InChIKey of 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is UNWWAGCBOYOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-20-15-9-4-3-7-12(15)14-11-18-16(19-14)13-8-5-6-10-17-13/h3-4,7,9,11,13,17H,2,5-6,8,10H2,1H3,(H,18,19).
What are the key properties of 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine?
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 43651095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).