1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine

C18H25N3O — CID 45223826

IUPAC1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCOc1cccc(CCC2CCCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C18H25N3O/c1-22-17-6-2-4-15(12-17)7-8-16-5-3-11-21(13-16)14-18-19-9-10-20-18/h2,4,6,9-10,12,16H,3,5,7-8,11,13-14H2,1H3,(H,19,20)
InChIKeyUJATVKKRWIQFRV-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.26
Rot. Bonds6

About 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine

1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine (PubChem CID 45223826) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine
PubChem CID45223826
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCOc1cccc(CCC2CCCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C18H25N3O/c1-22-17-6-2-4-15(12-17)7-8-16-5-3-11-21(13-16)14-18-19-9-10-20-18/h2,4,6,9-10,12,16H,3,5,7-8,11,13-14H2,1H3,(H,19,20)
InChIKeyUJATVKKRWIQFRV-UHFFFAOYSA-N
XLogP3.26
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine (CID 45223826) is 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine is COc1cccc(CCC2CCCN(Cc3ncc[nH]3)C2)c1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine?
The InChIKey is UJATVKKRWIQFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-22-17-6-2-4-15(12-17)7-8-16-5-3-11-21(13-16)14-18-19-9-10-20-18/h2,4,6,9-10,12,16H,3,5,7-8,11,13-14H2,1H3,(H,19,20).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine?
1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine has a molecular weight of 299.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 45223826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).