1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine

C17H23N3O2 — CID 50983126

IUPAC1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine
SMILESCOc1cccc(OCC2CCCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C17H23N3O2/c1-21-15-5-2-6-16(10-15)22-13-14-4-3-9-20(11-14)12-17-18-7-8-19-17/h2,5-8,10,14H,3-4,9,11-13H2,1H3,(H,18,19)
InChIKeyMZAGFUBFOPZHRX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.71
Rot. Bonds6

About 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine

1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine (PubChem CID 50983126) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine
PubChem CID50983126
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine
SMILESCOc1cccc(OCC2CCCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C17H23N3O2/c1-21-15-5-2-6-16(10-15)22-13-14-4-3-9-20(11-14)12-17-18-7-8-19-17/h2,5-8,10,14H,3-4,9,11-13H2,1H3,(H,18,19)
InChIKeyMZAGFUBFOPZHRX-UHFFFAOYSA-N
XLogP2.71
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine (CID 50983126) is 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine is COc1cccc(OCC2CCCN(Cc3ncc[nH]3)C2)c1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine?
The InChIKey is MZAGFUBFOPZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-15-5-2-6-16(10-15)22-13-14-4-3-9-20(11-14)12-17-18-7-8-19-17/h2,5-8,10,14H,3-4,9,11-13H2,1H3,(H,18,19).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine?
1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine has a molecular weight of 301.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-3-[(3-methoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 50983126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).