3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine

C15H21NO2 — CID 82498563

IUPAC3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
SMILESCc1cc2c(cc1CC1CCCNC1)OCCO2
InChIInChI=1S/C15H21NO2/c1-11-7-14-15(18-6-5-17-14)9-13(11)8-12-3-2-4-16-10-12/h7,9,12,16H,2-6,8,10H2,1H3
InChIKeyJWAJTSRESIKEFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds2

About 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine

3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine (PubChem CID 82498563) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
PubChem CID82498563
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
SMILESCc1cc2c(cc1CC1CCCNC1)OCCO2
InChIInChI=1S/C15H21NO2/c1-11-7-14-15(18-6-5-17-14)9-13(11)8-12-3-2-4-16-10-12/h7,9,12,16H,2-6,8,10H2,1H3
InChIKeyJWAJTSRESIKEFV-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
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-[(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)methyl]piperidine
CID 117464049
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
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
7-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115209510
5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376569
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
The IUPAC name of 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine (CID 82498563) is 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine.
What is the SMILES notation for 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
The canonical SMILES for 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine is Cc1cc2c(cc1CC1CCCNC1)OCCO2.
What is the InChIKey of 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
The InChIKey is JWAJTSRESIKEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-14-15(18-6-5-17-14)9-13(11)8-12-3-2-4-16-10-12/h7,9,12,16H,2-6,8,10H2,1H3.
What are the key properties of 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine?
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine has a molecular weight of 247.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine is sourced from PubChem (CID 82498563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).