3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine

C17H23N3O — CID 107854548

IUPAC3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCOc1cccc(CCn2cncc2C2CCCNC2)c1
InChIInChI=1S/C17H23N3O/c1-21-16-6-2-4-14(10-16)7-9-20-13-19-12-17(20)15-5-3-8-18-11-15/h2,4,6,10,12-13,15,18H,3,5,7-9,11H2,1H3
InChIKeyNQSICNCMOQKRTK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.60
Rot. Bonds5

About 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine

3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 107854548) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID107854548
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCOc1cccc(CCn2cncc2C2CCCNC2)c1
InChIInChI=1S/C17H23N3O/c1-21-16-6-2-4-14(10-16)7-9-20-13-19-12-17(20)15-5-3-8-18-11-15/h2,4,6,10,12-13,15,18H,3,5,7-9,11H2,1H3
InChIKeyNQSICNCMOQKRTK-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
2-[3-[(3-methoxyphenyl)methyl]imidazol-4-yl]morpholine
CID 114718323
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
CID 106009447
(1S)-1-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 114009439

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine (CID 107854548) is 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine is COc1cccc(CCn2cncc2C2CCCNC2)c1.
What is the InChIKey of 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is NQSICNCMOQKRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-16-6-2-4-14(10-16)7-9-20-13-19-12-17(20)15-5-3-8-18-11-15/h2,4,6,10,12-13,15,18H,3,5,7-9,11H2,1H3.
What are the key properties of 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine?
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 285.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 107854548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).