1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol

C25H31NO7 — CID 3049012

IUPAC1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol
SMILESOC(CCCN1CCCCC1)(COc1ccc2c(c1)OCO2)COc1ccc2c(c1)OCO2
InChIInChI=1S/C25H31NO7/c27-25(9-4-12-26-10-2-1-3-11-26,15-28-19-5-7-21-23(13-19)32-17-30-21)16-29-20-6-8-22-24(14-20)33-18-31-22/h5-8,13-14,27H,1-4,9-12,15-18H2
InChIKeyUTIQNLQMZRYVTO-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.60
Rot. Bonds10

About 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol

1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol (PubChem CID 3049012) has the molecular formula C25H31NO7 and a molecular weight of 457.52 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol
PubChem CID3049012
Molecular FormulaC25H31NO7
Molecular Weight457.52 g/mol
Exact Mass457.21
IUPAC Name1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol
SMILESOC(CCCN1CCCCC1)(COc1ccc2c(c1)OCO2)COc1ccc2c(c1)OCO2
InChIInChI=1S/C25H31NO7/c27-25(9-4-12-26-10-2-1-3-11-26,15-28-19-5-7-21-23(13-19)32-17-30-21)16-29-20-6-8-22-24(14-20)33-18-31-22/h5-8,13-14,27H,1-4,9-12,15-18H2
InChIKeyUTIQNLQMZRYVTO-UHFFFAOYSA-N
XLogP3.60
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol with MolForge

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Related Compounds

1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1,4-diazepane
CID 82091513
1-(1,3-benzodioxol-5-yloxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53350591
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
[4-(3-piperidin-1-ylpropoxy)phenyl]-(5,6,8,9-tetrahydro-[1,3]dioxolo[4,5-h][3]benzazepin-7-yl)methanone
CID 10048663
N'-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidine-1-carboximidamide
CID 111072067
2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]piperazin-1-yl]pyrimidine
CID 13309342
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine
CID 28917569
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2134501
N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
CID 110452723
1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
CID 141195419

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol (CID 3049012) is 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol is OC(CCCN1CCCCC1)(COc1ccc2c(c1)OCO2)COc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol?
The InChIKey is UTIQNLQMZRYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO7/c27-25(9-4-12-26-10-2-1-3-11-26,15-28-19-5-7-21-23(13-19)32-17-30-21)16-29-20-6-8-22-24(14-20)33-18-31-22/h5-8,13-14,27H,1-4,9-12,15-18H2.
What are the key properties of 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol?
1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol has a molecular weight of 457.52 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yloxy)-2-(1,3-benzodioxol-5-yloxymethyl)-5-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 3049012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).