3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine

C15H21NO2 — CID 116925655

IUPAC3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
SMILESCc1cc2c(cc1CCC1CCCNC1)OCO2
InChIInChI=1S/C15H21NO2/c1-11-7-14-15(18-10-17-14)8-13(11)5-4-12-3-2-6-16-9-12/h7-8,12,16H,2-6,9-10H2,1H3
InChIKeyXPYOSQCRRFRELK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.66
Rot. Bonds3

About 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine

3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine (PubChem CID 116925655) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
PubChem CID116925655
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
SMILESCc1cc2c(cc1CCC1CCCNC1)OCO2
InChIInChI=1S/C15H21NO2/c1-11-7-14-15(18-10-17-14)8-13(11)5-4-12-3-2-6-16-9-12/h7-8,12,16H,2-6,9-10H2,1H3
InChIKeyXPYOSQCRRFRELK-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
CID 117464049
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-amine
CID 115119146
7-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115209510
6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714
3-[[6-(2-fluoropropan-2-yl)-1,3-benzodioxol-5-yl]methyl]piperidine
CID 117448101
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-amine
CID 115118961
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine (CID 116925655) is 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine is Cc1cc2c(cc1CCC1CCCNC1)OCO2.
What is the InChIKey of 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine?
The InChIKey is XPYOSQCRRFRELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-14-15(18-10-17-14)8-13(11)5-4-12-3-2-6-16-9-12/h7-8,12,16H,2-6,9-10H2,1H3.
What are the key properties of 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine?
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine is sourced from PubChem (CID 116925655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).