1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine

C17H23N3O — CID 154807846

IUPAC1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCN(CCn3ccnc3)CC2)c1
InChIInChI=1S/C17H23N3O/c1-21-17-4-2-3-16(13-17)15-5-8-19(9-6-15)11-12-20-10-7-18-14-20/h2-4,7,10,13-15H,5-6,8-9,11-12H2,1H3
InChIKeyVJLFRRLPCDKXEW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds5

About 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine

1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine (PubChem CID 154807846) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine
PubChem CID154807846
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCN(CCn3ccnc3)CC2)c1
InChIInChI=1S/C17H23N3O/c1-21-17-4-2-3-16(13-17)15-5-8-19(9-6-15)11-12-20-10-7-18-14-20/h2-4,7,10,13-15H,5-6,8-9,11-12H2,1H3
InChIKeyVJLFRRLPCDKXEW-UHFFFAOYSA-N
XLogP2.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R,4R)-2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]ethyl]imidazole
CID 124733917
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-[3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propyl]imidazole
CID 75483244
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
3-[1-[3-(6-methoxynaphthalen-2-yl)oxypropyl]piperidin-4-yl]pyridine
CID 21198085
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
(5S)-5-[2-[4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-3,3-dimethyloxolan-2-one
CID 154597521

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine (CID 154807846) is 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine is COc1cccc(C2CCN(CCn3ccnc3)CC2)c1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine?
The InChIKey is VJLFRRLPCDKXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-17-4-2-3-16(13-17)15-5-8-19(9-6-15)11-12-20-10-7-18-14-20/h2-4,7,10,13-15H,5-6,8-9,11-12H2,1H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine?
1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine has a molecular weight of 285.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-4-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 154807846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).