1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine

C22H23N3O3 — CID 10068163

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine
SMILESc1cn(-c2ccc(OC3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1
InChIInChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2
InChIKeyHHOPJGKEAIIIDF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine

1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine (PubChem CID 10068163) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine
PubChem CID10068163
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine
SMILESc1cn(-c2ccc(OC3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1
InChIInChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2
InChIKeyHHOPJGKEAIIIDF-UHFFFAOYSA-N
XLogP3.64
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(1,3-Benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-1-YL)phenoxy]piperidine
CID 11740318
3-methoxy-4-[(2S)-1-[3-(2-methylimidazol-1-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471365
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
3-[(6-(Imidazol-1-yl)pyridazin-3-yl)oxy]-1-[(1,3-benzodioxol-5-yl)methyl]piperidine
CID 9999752
N-(1,3-benzodioxol-5-ylmethyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-imidazol-1-ylphenoxy)ethyl]amino]acetamide
CID 10007136
N-[2-(4-(imidazol-1-yl)phenoxy)ethyl]-N-[(1,3-benzodioxol-5-yl)methyl]amine
CID 10019960
2-((4-(1H-imidazol-1-yl)phenoxy)methyl)-1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidine
CID 10069033
4-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]dioxol-5-ylmethyl)-6-morpholinopyrimidine
CID 10161494
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)azepane
CID 10475555
N'-(1,3-benzodioxol-5-ylmethyl)-N-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 11502103
2-(2-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)pyrrolidin-1-yl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-N-methylethanamine
CID 11539024

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine (CID 10068163) is 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine is c1cn(-c2ccc(OC3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine?
The InChIKey is HHOPJGKEAIIIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-20(28-19-6-4-18(5-7-19)25-11-9-23-15-25)14-24(10-1)13-17-3-8-21-22(12-17)27-16-26-21/h3-9,11-12,15,20H,1-2,10,13-14,16H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine?
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine has a molecular weight of 377.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)piperidine is sourced from PubChem (CID 10068163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).