3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

C15H20ClNO2 — CID 117452568

IUPAC3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESCc1c(Cl)c(CC2CCCNC2)cc2c1OCCO2
InChIInChI=1S/C15H20ClNO2/c1-10-14(16)12(7-11-3-2-4-17-9-11)8-13-15(10)19-6-5-18-13/h8,11,17H,2-7,9H2,1H3
InChIKeyNDHNWMQFBDKVJX-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.96
Rot. Bonds2

About 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine

3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (PubChem CID 117452568) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
PubChem CID117452568
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
SMILESCc1c(Cl)c(CC2CCCNC2)cc2c1OCCO2
InChIInChI=1S/C15H20ClNO2/c1-10-14(16)12(7-11-3-2-4-17-9-11)8-13-15(10)19-6-5-18-13/h8,11,17H,2-7,9H2,1H3
InChIKeyNDHNWMQFBDKVJX-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine with MolForge

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Related Compounds

5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202
3-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413184
3-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperidine
CID 117460257
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376569
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)piperidine
CID 117371533

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The IUPAC name of 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine (CID 117452568) is 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The canonical SMILES for 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is Cc1c(Cl)c(CC2CCCNC2)cc2c1OCCO2.
What is the InChIKey of 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
The InChIKey is NDHNWMQFBDKVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-14(16)12(7-11-3-2-4-17-9-11)8-13-15(10)19-6-5-18-13/h8,11,17H,2-7,9H2,1H3.
What are the key properties of 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine?
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine has a molecular weight of 281.78 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine is sourced from PubChem (CID 117452568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).