2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine

C12H21N3 — CID 114695790

IUPAC2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine
SMILESCC(C)c1cncn1C1CCCNC1C
InChIInChI=1S/C12H21N3/c1-9(2)12-7-13-8-15(12)11-5-4-6-14-10(11)3/h7-11,14H,4-6H2,1-3H3
InChIKeyDXYKBONOXFZHNV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds2

About 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine

2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine (PubChem CID 114695790) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine.

Molecular Properties

Compound Name2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine
PubChem CID114695790
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine
SMILESCC(C)c1cncn1C1CCCNC1C
InChIInChI=1S/C12H21N3/c1-9(2)12-7-13-8-15(12)11-5-4-6-14-10(11)3/h7-11,14H,4-6H2,1-3H3
InChIKeyDXYKBONOXFZHNV-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
CID 114695777
(3-ethylimidazol-4-yl)-pyrrolidin-2-ylmethanol
CID 66132894
1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
azepan-2-yl-(3-methylimidazol-4-yl)methanol
CID 66117137
(1R)-1-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]ethanamine
CID 104942556
3-(2,5-dimethylpyrrol-1-yl)-2-methylpiperidine
CID 114695724
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
2-[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114703362
[3-(2-methylcyclopentyl)imidazol-4-yl]-phenylmethanamine
CID 114706106
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
(1S)-1-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 104943285
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine?
The IUPAC name of 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine (CID 114695790) is 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine.
What is the SMILES notation for 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine?
The canonical SMILES for 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine is CC(C)c1cncn1C1CCCNC1C.
What is the InChIKey of 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine?
The InChIKey is DXYKBONOXFZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)12-7-13-8-15(12)11-5-4-6-14-10(11)3/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine?
2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-propan-2-ylimidazol-1-yl)piperidine is sourced from PubChem (CID 114695790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).