2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine

C18H25N3 — CID 114721154

IUPAC2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccccc1CCn1cncc1C1CCCC(C)N1
InChIInChI=1S/C18H25N3/c1-14-6-3-4-8-16(14)10-11-21-13-19-12-18(21)17-9-5-7-15(2)20-17/h3-4,6,8,12-13,15,17,20H,5,7,9-11H2,1-2H3
InChIKeyLVHCWFKXRFWKHR-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds4

About 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine

2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114721154) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114721154
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccccc1CCn1cncc1C1CCCC(C)N1
InChIInChI=1S/C18H25N3/c1-14-6-3-4-8-16(14)10-11-21-13-19-12-18(21)17-9-5-7-15(2)20-17/h3-4,6,8,12-13,15,17,20H,5,7,9-11H2,1-2H3
InChIKeyLVHCWFKXRFWKHR-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine (CID 114721154) is 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine is Cc1ccccc1CCn1cncc1C1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is LVHCWFKXRFWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-6-3-4-8-16(14)10-11-21-13-19-12-18(21)17-9-5-7-15(2)20-17/h3-4,6,8,12-13,15,17,20H,5,7,9-11H2,1-2H3.
What are the key properties of 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114721154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).