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

C17H23N3 — CID 114706613

IUPAC2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccccc1CCn1cncc1C1CCCCN1
InChIInChI=1S/C17H23N3/c1-14-6-2-3-7-15(14)9-11-20-13-18-12-17(20)16-8-4-5-10-19-16/h2-3,6-7,12-13,16,19H,4-5,8-11H2,1H3
InChIKeyALEVVTITDMYJTF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds4

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

2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114706613) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114706613
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccccc1CCn1cncc1C1CCCCN1
InChIInChI=1S/C17H23N3/c1-14-6-2-3-7-15(14)9-11-20-13-18-12-17(20)16-8-4-5-10-19-16/h2-3,6-7,12-13,16,19H,4-5,8-11H2,1H3
InChIKeyALEVVTITDMYJTF-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
2-[3-(3-phenoxypropyl)imidazol-4-yl]piperidine
CID 114705821
1-(naphthalen-1-ylmethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942995
2-[3-(3-methoxypropyl)imidazol-4-yl]piperidine
CID 114703963
1-[2-(furan-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942485
2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
CID 114704523
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
ethyl 4-(5-piperidin-2-ylimidazol-1-yl)butanoate
CID 114706340
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine (CID 114706613) is 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine is Cc1ccccc1CCn1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is ALEVVTITDMYJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-6-2-3-7-15(14)9-11-20-13-18-12-17(20)16-8-4-5-10-19-16/h2-3,6-7,12-13,16,19H,4-5,8-11H2,1H3.
What are the key properties of 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114706613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).