1-(1,3-benzodioxol-5-yl)piperidin-3-ol

C12H15NO3 — CID 117012804

IUPAC1-(1,3-benzodioxol-5-yl)piperidin-3-ol
SMILESOC1CCCN(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C12H15NO3/c14-10-2-1-5-13(7-10)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,10,14H,1-2,5,7-8H2
InChIKeyCBBDTEAFOLWPLM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.38
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)piperidin-3-ol

1-(1,3-benzodioxol-5-yl)piperidin-3-ol (PubChem CID 117012804) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)piperidin-3-ol
PubChem CID117012804
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(1,3-benzodioxol-5-yl)piperidin-3-ol
SMILESOC1CCCN(c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C12H15NO3/c14-10-2-1-5-13(7-10)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,10,14H,1-2,5,7-8H2
InChIKeyCBBDTEAFOLWPLM-UHFFFAOYSA-N
XLogP1.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
1-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]piperidin-3-ol
CID 77088330
1-(1,3-benzodioxol-5-yl)-N-benzylpiperidin-3-amine
CID 83993803
1-(1,3-benzodioxol-5-yl)-3-methylpiperazine
CID 64924040
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79922701
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-(1,3-benzodioxol-5-yl)-3-ethyl-1,4-diazepane
CID 64945495
1-(1,3-benzodioxol-5-yl)-3-ethoxypyrrolidine
CID 139709494
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)piperidin-3-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)piperidin-3-ol (CID 117012804) is 1-(1,3-benzodioxol-5-yl)piperidin-3-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)piperidin-3-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)piperidin-3-ol is OC1CCCN(c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)piperidin-3-ol?
The InChIKey is CBBDTEAFOLWPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-2-1-5-13(7-10)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,10,14H,1-2,5,7-8H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)piperidin-3-ol?
1-(1,3-benzodioxol-5-yl)piperidin-3-ol has a molecular weight of 221.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)piperidin-3-ol is sourced from PubChem (CID 117012804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).