2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine

C13H21N3O — CID 114707289

IUPAC2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine
SMILESCC1(n2cncc2C2CCCCN2)CCOC1
InChIInChI=1S/C13H21N3O/c1-13(5-7-17-9-13)16-10-14-8-12(16)11-4-2-3-6-15-11/h8,10-11,15H,2-7,9H2,1H3
InChIKeyMNRFWDIDZRCXAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.83
Rot. Bonds2

About 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine

2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine (PubChem CID 114707289) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine
PubChem CID114707289
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine
SMILESCC1(n2cncc2C2CCCCN2)CCOC1
InChIInChI=1S/C13H21N3O/c1-13(5-7-17-9-13)16-10-14-8-12(16)11-4-2-3-6-15-11/h8,10-11,15H,2-7,9H2,1H3
InChIKeyMNRFWDIDZRCXAP-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopentyl)-5-pyrrolidin-2-ylimidazole
CID 114706346
1-(1-methylcyclobutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943773
1-(1-methylcyclobutyl)-5-pyrrolidin-2-ylimidazole
CID 114707392
2-methyl-6-[3-(4-methyloxan-4-yl)imidazol-4-yl]piperidine
CID 114722066
1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
2-(3-octan-4-ylimidazol-4-yl)piperidine
CID 106022201
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
N,N-dimethyl-2-(5-piperidin-2-ylimidazol-1-yl)aniline
CID 106761198
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine (CID 114707289) is 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine is CC1(n2cncc2C2CCCCN2)CCOC1.
What is the InChIKey of 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine?
The InChIKey is MNRFWDIDZRCXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(5-7-17-9-13)16-10-14-8-12(16)11-4-2-3-6-15-11/h8,10-11,15H,2-7,9H2,1H3.
What are the key properties of 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine?
2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine has a molecular weight of 235.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methyloxolan-3-yl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114707289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).