4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine

C17H23N3 — CID 174445491

IUPAC4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine
SMILESCc1cn(CCC2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-14-13-20(12-9-15-7-10-18-11-8-15)17(19-14)16-5-3-2-4-6-16/h2-6,13,15,18H,7-12H2,1H3
InChIKeyQNFVIPYDVNEPCU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.25
Rot. Bonds4

About 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine

4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine (PubChem CID 174445491) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine
PubChem CID174445491
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine
SMILESCc1cn(CCC2CCNCC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-14-13-20(12-9-15-7-10-18-11-8-15)17(19-14)16-5-3-2-4-6-16/h2-6,13,15,18H,7-12H2,1H3
InChIKeyQNFVIPYDVNEPCU-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine (CID 174445491) is 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine is Cc1cn(CCC2CCNCC2)c(-c2ccccc2)n1.
What is the InChIKey of 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine?
The InChIKey is QNFVIPYDVNEPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-13-20(12-9-15-7-10-18-11-8-15)17(19-14)16-5-3-2-4-6-16/h2-6,13,15,18H,7-12H2,1H3.
What are the key properties of 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine?
4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]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 4-[2-(4-methyl-2-phenylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 174445491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).