4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine

C17H23N3 — CID 79442195

IUPAC4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine
SMILESCCn1cncc1C1CCNCC1c1cccc(C)c1
InChIInChI=1S/C17H23N3/c1-3-20-12-19-11-17(20)15-7-8-18-10-16(15)14-6-4-5-13(2)9-14/h4-6,9,11-12,15-16,18H,3,7-8,10H2,1-2H3
InChIKeyKCQLXYXTDWHCJM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.07
Rot. Bonds3

About 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine

4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine (PubChem CID 79442195) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine
PubChem CID79442195
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine
SMILESCCn1cncc1C1CCNCC1c1cccc(C)c1
InChIInChI=1S/C17H23N3/c1-3-20-12-19-11-17(20)15-7-8-18-10-16(15)14-6-4-5-13(2)9-14/h4-6,9,11-12,15-16,18H,3,7-8,10H2,1-2H3
InChIKeyKCQLXYXTDWHCJM-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine?
The IUPAC name of 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine (CID 79442195) is 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine.
What is the SMILES notation for 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine?
The canonical SMILES for 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine is CCn1cncc1C1CCNCC1c1cccc(C)c1.
What is the InChIKey of 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine?
The InChIKey is KCQLXYXTDWHCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20-12-19-11-17(20)15-7-8-18-10-16(15)14-6-4-5-13(2)9-14/h4-6,9,11-12,15-16,18H,3,7-8,10H2,1-2H3.
What are the key properties of 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine?
4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylimidazol-4-yl)-3-(3-methylphenyl)piperidine is sourced from PubChem (CID 79442195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).