2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine

C16H21N3O — CID 114705681

IUPAC2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
SMILESCOc1ccc(-n2cncc2C2CCCCN2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-12-9-13(20-2)6-7-15(12)19-11-17-10-16(19)14-5-3-4-8-18-14/h6-7,9-11,14,18H,3-5,8H2,1-2H3
InChIKeyGLKSYCMKCUJKJT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.00
Rot. Bonds3

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

2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine (PubChem CID 114705681) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
PubChem CID114705681
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine
SMILESCOc1ccc(-n2cncc2C2CCCCN2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-12-9-13(20-2)6-7-15(12)19-11-17-10-16(19)14-5-3-4-8-18-14/h6-7,9-11,14,18H,3-5,8H2,1-2H3
InChIKeyGLKSYCMKCUJKJT-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine (CID 114705681) is 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine is COc1ccc(-n2cncc2C2CCCCN2)c(C)c1.
What is the InChIKey of 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine?
The InChIKey is GLKSYCMKCUJKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-9-13(20-2)6-7-15(12)19-11-17-10-16(19)14-5-3-4-8-18-14/h6-7,9-11,14,18H,3-5,8H2,1-2H3.
What are the key properties of 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine?
2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine has a molecular weight of 271.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2-methylphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).