1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine

C16H21N3 — CID 155673275

IUPAC1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine
SMILESCc1ncc(-c2ccc(N3CCCCC3)cc2)n1C
InChIInChI=1S/C16H21N3/c1-13-17-12-16(18(13)2)14-6-8-15(9-7-14)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyOSPFESPAZSDYRL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.39
Rot. Bonds2

About 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine

1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine (PubChem CID 155673275) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine
PubChem CID155673275
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine
SMILESCc1ncc(-c2ccc(N3CCCCC3)cc2)n1C
InChIInChI=1S/C16H21N3/c1-13-17-12-16(18(13)2)14-6-8-15(9-7-14)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyOSPFESPAZSDYRL-UHFFFAOYSA-N
XLogP3.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-1,2-dimethylimidazole
CID 155445809
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CID 177496449
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
4-[1-methyl-5-(4-piperidin-1-ylphenyl)pyrrol-2-yl]pyridine-3-carbonitrile
CID 153371436
2-(4-piperidin-1-ylphenyl)pyrazine
CID 90697442
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
1-methyl-5-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylic acid
CID 83853464
4-(4-piperidin-1-ylphenyl)aniline
CID 45277459
ethane;2-ethyl-5-piperidin-1-ylpyridine
CID 144862663
2,5-di(piperidin-1-yl)pyridine
CID 56695292
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine?
The IUPAC name of 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine (CID 155673275) is 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine?
The canonical SMILES for 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine is Cc1ncc(-c2ccc(N3CCCCC3)cc2)n1C.
What is the InChIKey of 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine?
The InChIKey is OSPFESPAZSDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-17-12-16(18(13)2)14-6-8-15(9-7-14)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine?
1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylimidazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 155673275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).