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

C16H21N3 — CID 114717532

IUPAC4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine
SMILESCc1ccc(-n2cncc2C2(C)CCNCC2)cc1
InChIInChI=1S/C16H21N3/c1-13-3-5-14(6-4-13)19-12-18-11-15(19)16(2)7-9-17-10-8-16/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyKZTDLWVUUBGQIM-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.82
Rot. Bonds2

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

4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine (PubChem CID 114717532) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine
PubChem CID114717532
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine
SMILESCc1ccc(-n2cncc2C2(C)CCNCC2)cc1
InChIInChI=1S/C16H21N3/c1-13-3-5-14(6-4-13)19-12-18-11-15(19)16(2)7-9-17-10-8-16/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyKZTDLWVUUBGQIM-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine (CID 114717532) is 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine is Cc1ccc(-n2cncc2C2(C)CCNCC2)cc1.
What is the InChIKey of 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine?
The InChIKey is KZTDLWVUUBGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-3-5-14(6-4-13)19-12-18-11-15(19)16(2)7-9-17-10-8-16/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine?
4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine has a molecular weight of 255.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114717532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).