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

C14H19NO2 — CID 84796209

IUPAC3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
SMILESCc1cc2c(cc1CC1CCCNC1)OCO2
InChIInChI=1S/C14H19NO2/c1-10-5-13-14(17-9-16-13)7-12(10)6-11-3-2-4-15-8-11/h5,7,11,15H,2-4,6,8-9H2,1H3
InChIKeyJPMVWYFAEMRFRX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds2

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

3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine (PubChem CID 84796209) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
PubChem CID84796209
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
SMILESCc1cc2c(cc1CC1CCCNC1)OCO2
InChIInChI=1S/C14H19NO2/c1-10-5-13-14(17-9-16-13)7-12(10)6-11-3-2-4-15-8-11/h5,7,11,15H,2-4,6,8-9H2,1H3
InChIKeyJPMVWYFAEMRFRX-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
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
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
4-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperidine
CID 117408332
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
7-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115209510

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine?
The IUPAC name of 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine (CID 84796209) is 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine?
The canonical SMILES for 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine is Cc1cc2c(cc1CC1CCCNC1)OCO2.
What is the InChIKey of 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine?
The InChIKey is JPMVWYFAEMRFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-13-14(17-9-16-13)7-12(10)6-11-3-2-4-15-8-11/h5,7,11,15H,2-4,6,8-9H2,1H3.
What are the key properties of 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine?
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine has a molecular weight of 233.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine is sourced from PubChem (CID 84796209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).