2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine

C17H23N3O — CID 114704523

IUPAC2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
SMILESCc1cccc(OCCn2cncc2C2CCCCN2)c1
InChIInChI=1S/C17H23N3O/c1-14-5-4-6-15(11-14)21-10-9-20-13-18-12-17(20)16-7-2-3-8-19-16/h4-6,11-13,16,19H,2-3,7-10H2,1H3
InChIKeyFBBYVIZEKFEBGT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds5

About 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine

2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine (PubChem CID 114704523) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
PubChem CID114704523
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
SMILESCc1cccc(OCCn2cncc2C2CCCCN2)c1
InChIInChI=1S/C17H23N3O/c1-14-5-4-6-15(11-14)21-10-9-20-13-18-12-17(20)16-7-2-3-8-19-16/h4-6,11-13,16,19H,2-3,7-10H2,1H3
InChIKeyFBBYVIZEKFEBGT-UHFFFAOYSA-N
XLogP3.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
CID 114705821
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706613
N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151762
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273920
N,N-dimethyl-2-[2-(5-pyrrolidin-2-ylimidazol-1-yl)ethoxy]ethanamine
CID 114128208
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
CID 114706340
1-[2-(4-fluoro-2-methylphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114706692
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine (CID 114704523) is 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine is Cc1cccc(OCCn2cncc2C2CCCCN2)c1.
What is the InChIKey of 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine?
The InChIKey is FBBYVIZEKFEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14-5-4-6-15(11-14)21-10-9-20-13-18-12-17(20)16-7-2-3-8-19-16/h4-6,11-13,16,19H,2-3,7-10H2,1H3.
What are the key properties of 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine?
2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).