1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine

C23H25N3O3 — CID 10069033

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine
SMILESc1cn(-c2ccc(OCC3CCCCN3Cc3ccc4c(c3)OCO4)cc2)cn1
InChIInChI=1S/C23H25N3O3/c1-2-11-25(14-18-4-9-22-23(13-18)29-17-28-22)20(3-1)15-27-21-7-5-19(6-8-21)26-12-10-24-16-26/h4-10,12-13,16,20H,1-3,11,14-15,17H2
InChIKeyOGIDTPKJWIUESB-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.03
Rot. Bonds6

About 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine

1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine (PubChem CID 10069033) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine
PubChem CID10069033
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine
SMILESc1cn(-c2ccc(OCC3CCCCN3Cc3ccc4c(c3)OCO4)cc2)cn1
InChIInChI=1S/C23H25N3O3/c1-2-11-25(14-18-4-9-22-23(13-18)29-17-28-22)20(3-1)15-27-21-7-5-19(6-8-21)26-12-10-24-16-26/h4-10,12-13,16,20H,1-3,11,14-15,17H2
InChIKeyOGIDTPKJWIUESB-UHFFFAOYSA-N
XLogP4.03
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.03
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
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
3-(4-(1H-imidazol-1-yl)phenoxy)-1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidine
CID 10068163
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
N-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethanamine
CID 11589024

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine (CID 10069033) is 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine is c1cn(-c2ccc(OCC3CCCCN3Cc3ccc4c(c3)OCO4)cc2)cn1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine?
The InChIKey is OGIDTPKJWIUESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-11-25(14-18-4-9-22-23(13-18)29-17-28-22)20(3-1)15-27-21-7-5-19(6-8-21)26-12-10-24-16-26/h4-10,12-13,16,20H,1-3,11,14-15,17H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine?
1-(1,3-benzodioxol-5-ylmethyl)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine has a molecular weight of 391.47 g/mol, XLogP of 4.03, 6 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)-2-[(4-imidazol-1-ylphenoxy)methyl]piperidine is sourced from PubChem (CID 10069033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).