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

C14H25N3 — CID 114716386

IUPAC2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)CCn1cncc1C1CCCC(C)N1
InChIInChI=1S/C14H25N3/c1-11(2)7-8-17-10-15-9-14(17)13-6-4-5-12(3)16-13/h9-13,16H,4-8H2,1-3H3
InChIKeyGQOVXXDLPRWBMG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.13
Rot. Bonds4

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

2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine (PubChem CID 114716386) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
PubChem CID114716386
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)CCn1cncc1C1CCCC(C)N1
InChIInChI=1S/C14H25N3/c1-11(2)7-8-17-10-15-9-14(17)13-6-4-5-12(3)16-13/h9-13,16H,4-8H2,1-3H3
InChIKeyGQOVXXDLPRWBMG-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231
2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
2-methyl-6-[3-(oxan-4-ylmethyl)imidazol-4-yl]piperidine
CID 114720357
N-ethyl-3-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]propanamide
CID 114721853
N-(2-methoxyethyl)-N-methyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]ethanamine
CID 114720032
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 106041251
N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
CID 114715959
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
CID 114719966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine (CID 114716386) is 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine is CC(C)CCn1cncc1C1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine?
The InChIKey is GQOVXXDLPRWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)7-8-17-10-15-9-14(17)13-6-4-5-12(3)16-13/h9-13,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine?
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine has a molecular weight of 235.37 g/mol, XLogP of 3.13, 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-(3-methylbutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114716386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).