1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine

C14H19NO2 — CID 12816916

IUPAC1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
SMILESc1cc2c(cc1CCN1CCCCC1)OCO2
InChIInChI=1S/C14H19NO2/c1-2-7-15(8-3-1)9-6-12-4-5-13-14(10-12)17-11-16-13/h4-5,10H,1-3,6-9,11H2
InChIKeyUBERAOLTYUADLH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.44
Rot. Bonds3

About 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine

1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine (PubChem CID 12816916) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
PubChem CID12816916
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
SMILESc1cc2c(cc1CCN1CCCCC1)OCO2
InChIInChI=1S/C14H19NO2/c1-2-7-15(8-3-1)9-6-12-4-5-13-14(10-12)17-11-16-13/h4-5,10H,1-3,6-9,11H2
InChIKeyUBERAOLTYUADLH-UHFFFAOYSA-N
XLogP2.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
CID 82480573
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
CID 53329789
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine
CID 24738725
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine;dihydrochloride
CID 66996145
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
2-[2-(1,3-benzodioxol-5-yl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134263
3-[2-(1,3-benzodioxol-5-yl)ethyl]-8-methyl-3-azabicyclo[3.2.1]octane
CID 68972233
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111380739
1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrole-2-carbaldehyde
CID 83649262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine (CID 12816916) is 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine is c1cc2c(cc1CCN1CCCCC1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine?
The InChIKey is UBERAOLTYUADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-7-15(8-3-1)9-6-12-4-5-13-14(10-12)17-11-16-13/h4-5,10H,1-3,6-9,11H2.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine?
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine is sourced from PubChem (CID 12816916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).