4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine

C13H23N3O2S — CID 114718584

IUPAC4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
SMILESCC1(c2cncn2CCCS(C)(=O)=O)CCNCC1
InChIInChI=1S/C13H23N3O2S/c1-13(4-6-14-7-5-13)12-10-15-11-16(12)8-3-9-19(2,17)18/h10-11,14H,3-9H2,1-2H3
InChIKeyTZSAPYATLFSCEI-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.96
Rot. Bonds5

About 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine

4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine (PubChem CID 114718584) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
PubChem CID114718584
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
SMILESCC1(c2cncn2CCCS(C)(=O)=O)CCNCC1
InChIInChI=1S/C13H23N3O2S/c1-13(4-6-14-7-5-13)12-10-15-11-16(12)8-3-9-19(2,17)18/h10-11,14H,3-9H2,1-2H3
InChIKeyTZSAPYATLFSCEI-UHFFFAOYSA-N
XLogP0.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
4-methyl-4-(3-methylimidazol-4-yl)piperidine
CID 114717460
4-[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718688
ethyl 3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanoate
CID 114719023
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719413
4-methyl-4-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909131
4-(3-benzylimidazol-4-yl)-4-methylpiperidine
CID 114716257
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 114721954
2,2-dimethyl-3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propanamide
CID 106278172
4-methyl-4-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114721609
N,N-dimethyl-2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethanamine
CID 114717474
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine (CID 114718584) is 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine is CC1(c2cncn2CCCS(C)(=O)=O)CCNCC1.
What is the InChIKey of 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine?
The InChIKey is TZSAPYATLFSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(4-6-14-7-5-13)12-10-15-11-16(12)8-3-9-19(2,17)18/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine?
4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine has a molecular weight of 285.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114718584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).