1-(1,3-benzodioxol-5-yl)piperidine

C12H15NO2 — CID 15712176

IUPAC1-(1,3-benzodioxol-5-yl)piperidine
SMILESc1cc2c(cc1N1CCCCC1)OCO2
InChIInChI=1S/C12H15NO2/c1-2-6-13(7-3-1)10-4-5-11-12(8-10)15-9-14-11/h4-5,8H,1-3,6-7,9H2
InChIKeyWGBHHTBRVCAJOH-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.41
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)piperidine

1-(1,3-benzodioxol-5-yl)piperidine (PubChem CID 15712176) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)piperidine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)piperidine
PubChem CID15712176
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(1,3-benzodioxol-5-yl)piperidine
SMILESc1cc2c(cc1N1CCCCC1)OCO2
InChIInChI=1S/C12H15NO2/c1-2-6-13(7-3-1)10-4-5-11-12(8-10)15-9-14-11/h4-5,8H,1-3,6-7,9H2
InChIKeyWGBHHTBRVCAJOH-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
1-(1,3-benzodioxol-5-yl)piperidin-3-ol
CID 117012804
1-(1,3-benzodioxol-5-yl)piperidine-4-carboxylic acid
CID 59023367
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-cyclohexylmethanone
CID 113079595
1-(1,3-benzodioxol-5-yl)piperidine-3-carboxylic acid
CID 82537821
(3S)-1-(1,3-benzodioxol-5-yl)piperidin-3-amine
CID 82038534
4-amino-1-(1,3-benzodioxol-5-yl)piperidine-4-carbonitrile
CID 117013108
[4-amino-1-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 117012141
4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione
CID 55237902
1-(1,3-benzodioxol-5-yl)-4-(2-isocyanoethyl)piperazine
CID 3530598
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110361952
1-(1,3-benzodioxol-5-yl)-3-methylpiperazine
CID 64924040

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)piperidine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)piperidine (CID 15712176) is 1-(1,3-benzodioxol-5-yl)piperidine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)piperidine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)piperidine is c1cc2c(cc1N1CCCCC1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)piperidine?
The InChIKey is WGBHHTBRVCAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-6-13(7-3-1)10-4-5-11-12(8-10)15-9-14-11/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)piperidine?
1-(1,3-benzodioxol-5-yl)piperidine has a molecular weight of 205.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)piperidine is sourced from PubChem (CID 15712176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).