1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine

C17H23N3 — CID 174724026

IUPAC1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
SMILESCc1ccc(CN2CCCCC2c2ncc[nH]2)cc1C
InChIInChI=1S/C17H23N3/c1-13-6-7-15(11-14(13)2)12-20-10-4-3-5-16(20)17-18-8-9-19-17/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,18,19)
InChIKeyFOVBZKDNLMEARS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.75
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine

1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine (PubChem CID 174724026) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
PubChem CID174724026
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
SMILESCc1ccc(CN2CCCCC2c2ncc[nH]2)cc1C
InChIInChI=1S/C17H23N3/c1-13-6-7-15(11-14(13)2)12-20-10-4-3-5-16(20)17-18-8-9-19-17/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,18,19)
InChIKeyFOVBZKDNLMEARS-UHFFFAOYSA-N
XLogP3.75
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
2-(1-propylpyrrolidin-2-yl)-1H-imidazole
CID 131110525
1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 71968465
methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 167929652
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
2-[(2R)-1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92558677
(2S)-2-(1H-imidazol-2-yl)-1-(2-propylsulfonylethyl)piperidine
CID 97098881
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol
CID 83982378
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine (CID 174724026) is 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine is Cc1ccc(CN2CCCCC2c2ncc[nH]2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The InChIKey is FOVBZKDNLMEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-6-7-15(11-14(13)2)12-20-10-4-3-5-16(20)17-18-8-9-19-17/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 174724026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).