1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine

C12H21N3 — CID 117191786

IUPAC1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine
SMILESCC(C)n1cnc(CN2CCCCC2)c1
InChIInChI=1S/C12H21N3/c1-11(2)15-9-12(13-10-15)8-14-6-4-3-5-7-14/h9-11H,3-8H2,1-2H3
InChIKeyNHNLQBXIMRAGAY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds3

About 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine

1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine (PubChem CID 117191786) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine
PubChem CID117191786
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine
SMILESCC(C)n1cnc(CN2CCCCC2)c1
InChIInChI=1S/C12H21N3/c1-11(2)15-9-12(13-10-15)8-14-6-4-3-5-7-14/h9-11H,3-8H2,1-2H3
InChIKeyNHNLQBXIMRAGAY-UHFFFAOYSA-N
XLogP2.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-4-yl)methyl]piperidine
CID 117191782
4-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 117191788
2-(piperidin-1-ylmethyl)-5-propan-2-ylpyridine
CID 58154560
4-cyclohexyl-1-propan-2-ylimidazole
CID 140925380
2-[4-(azepan-1-ylmethyl)imidazol-1-yl]benzoic acid
CID 110097876
5-(piperidin-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 117192935
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
[6-(piperidin-1-ylmethyl)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanethione
CID 11609917
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
4-[(1-ethylimidazol-4-yl)methyl]morpholine
CID 117191798

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine (CID 117191786) is 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine is CC(C)n1cnc(CN2CCCCC2)c1.
What is the InChIKey of 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine?
The InChIKey is NHNLQBXIMRAGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)15-9-12(13-10-15)8-14-6-4-3-5-7-14/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine?
1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 117191786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).