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

C15H21NO3 — CID 82354069

IUPAC2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
SMILESc1cc2c(cc1COCCC1CCCCN1)OCO2
InChIInChI=1S/C15H21NO3/c1-2-7-16-13(3-1)6-8-17-10-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13,16H,1-3,6-8,10-11H2
InChIKeyAQWOVEZOIYPVQN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.46
Rot. Bonds5

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

2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine (PubChem CID 82354069) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
PubChem CID82354069
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
SMILESc1cc2c(cc1COCCC1CCCCN1)OCO2
InChIInChI=1S/C15H21NO3/c1-2-7-16-13(3-1)6-8-17-10-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13,16H,1-3,6-8,10-11H2
InChIKeyAQWOVEZOIYPVQN-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829984
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
3-methyl-5-(2-piperidin-2-ylethoxymethyl)pyridine
CID 102877250
methyl 3-(2-piperidin-2-ylethoxymethyl)benzoate
CID 82353189
3-(1,3-benzodioxol-5-ylmethoxy)-N-ethylpropan-1-amine
CID 62445902

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine (CID 82354069) is 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine is c1cc2c(cc1COCCC1CCCCN1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine?
The InChIKey is AQWOVEZOIYPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-7-16-13(3-1)6-8-17-10-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13,16H,1-3,6-8,10-11H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine?
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine has a molecular weight of 263.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine is sourced from PubChem (CID 82354069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).