4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine

C17H23N3 — CID 90493809

IUPAC4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(CN2CCC(Cn3ccnc3)CC2)c1
InChIInChI=1S/C17H23N3/c1-15-3-2-4-17(11-15)13-19-8-5-16(6-9-19)12-20-10-7-18-14-20/h2-4,7,10-11,14,16H,5-6,8-9,12-13H2,1H3
InChIKeyODPUCISJRSCVQV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.10
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine

4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine (PubChem CID 90493809) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
PubChem CID90493809
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
SMILESCc1cccc(CN2CCC(Cn3ccnc3)CC2)c1
InChIInChI=1S/C17H23N3/c1-15-3-2-4-17(11-15)13-19-8-5-16(6-9-19)12-20-10-7-18-14-20/h2-4,7,10-11,14,16H,5-6,8-9,12-13H2,1H3
InChIKeyODPUCISJRSCVQV-UHFFFAOYSA-N
XLogP3.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
CID 90494036
1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493839
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163
1-ethyl-4-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]indole
CID 77097362
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
5-fluoro-2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-methylindole
CID 77088430
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine?
The IUPAC name of 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine (CID 90493809) is 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine is Cc1cccc(CN2CCC(Cn3ccnc3)CC2)c1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine?
The InChIKey is ODPUCISJRSCVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-15-3-2-4-17(11-15)13-19-8-5-16(6-9-19)12-20-10-7-18-14-20/h2-4,7,10-11,14,16H,5-6,8-9,12-13H2,1H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine?
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 90493809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).