2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine

C18H25N3O — CID 126777611

IUPAC2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
SMILESCCCOc1cccc(CN2CCCCC2c2ncc[nH]2)c1
InChIInChI=1S/C18H25N3O/c1-2-12-22-16-7-5-6-15(13-16)14-21-11-4-3-8-17(21)18-19-9-10-20-18/h5-7,9-10,13,17H,2-4,8,11-12,14H2,1H3,(H,19,20)
InChIKeyRTVJWYVVYJTZSQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.93
Rot. Bonds6

About 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine

2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine (PubChem CID 126777611) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
PubChem CID126777611
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
SMILESCCCOc1cccc(CN2CCCCC2c2ncc[nH]2)c1
InChIInChI=1S/C18H25N3O/c1-2-12-22-16-7-5-6-15(13-16)14-21-11-4-3-8-17(21)18-19-9-10-20-18/h5-7,9-10,13,17H,2-4,8,11-12,14H2,1H3,(H,19,20)
InChIKeyRTVJWYVVYJTZSQ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine (CID 126777611) is 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine is CCCOc1cccc(CN2CCCCC2c2ncc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine?
The InChIKey is RTVJWYVVYJTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-12-22-16-7-5-6-15(13-16)14-21-11-4-3-8-17(21)18-19-9-10-20-18/h5-7,9-10,13,17H,2-4,8,11-12,14H2,1H3,(H,19,20).
What are the key properties of 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine?
2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine has a molecular weight of 299.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine is sourced from PubChem (CID 126777611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).