3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine

C16H21N3O2 — CID 114702909

IUPAC3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
SMILESCOc1cc(OC)cc(-n2cncc2C2CCCNC2)c1
InChIInChI=1S/C16H21N3O2/c1-20-14-6-13(7-15(8-14)21-2)19-11-18-10-16(19)12-4-3-5-17-9-12/h6-8,10-12,17H,3-5,9H2,1-2H3
InChIKeyAMBBFAGYMITLOX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.36
Rot. Bonds4

About 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine

3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine (PubChem CID 114702909) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
PubChem CID114702909
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
SMILESCOc1cc(OC)cc(-n2cncc2C2CCCNC2)c1
InChIInChI=1S/C16H21N3O2/c1-20-14-6-13(7-15(8-14)21-2)19-11-18-10-16(19)12-4-3-5-17-9-12/h6-8,10-12,17H,3-5,9H2,1-2H3
InChIKeyAMBBFAGYMITLOX-UHFFFAOYSA-N
XLogP2.36
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
3-bromo-4-(5-piperidin-3-ylimidazol-1-yl)benzonitrile
CID 107795823
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine (CID 114702909) is 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine is COc1cc(OC)cc(-n2cncc2C2CCCNC2)c1.
What is the InChIKey of 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine?
The InChIKey is AMBBFAGYMITLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-6-13(7-15(8-14)21-2)19-11-18-10-16(19)12-4-3-5-17-9-12/h6-8,10-12,17H,3-5,9H2,1-2H3.
What are the key properties of 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine?
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine has a molecular weight of 287.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114702909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).