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

C14H18ClNO2 — CID 117423106

IUPAC2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
SMILESCc1c(Cl)c(C2CCCCN2)cc2c1OCCO2
InChIInChI=1S/C14H18ClNO2/c1-9-13(15)10(11-4-2-3-5-16-11)8-12-14(9)18-7-6-17-12/h8,11,16H,2-7H2,1H3
InChIKeyVZZUFZNMMROFQA-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.23
Rot. Bonds1

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

2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine (PubChem CID 117423106) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
PubChem CID117423106
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
SMILESCc1c(Cl)c(C2CCCCN2)cc2c1OCCO2
InChIInChI=1S/C14H18ClNO2/c1-9-13(15)10(11-4-2-3-5-16-11)8-12-14(9)18-7-6-17-12/h8,11,16H,2-7H2,1H3
InChIKeyVZZUFZNMMROFQA-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
2-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117480024
2-(7-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117387320
5-fluoro-7-piperidin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117385564
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117371289
2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 117338806
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117480070
2-(8-bromo-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117497077
2-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117408174
2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117494550
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
The IUPAC name of 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine (CID 117423106) is 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine.
What is the SMILES notation for 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
The canonical SMILES for 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine is Cc1c(Cl)c(C2CCCCN2)cc2c1OCCO2.
What is the InChIKey of 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
The InChIKey is VZZUFZNMMROFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-13(15)10(11-4-2-3-5-16-11)8-12-14(9)18-7-6-17-12/h8,11,16H,2-7H2,1H3.
What are the key properties of 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine has a molecular weight of 267.76 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine is sourced from PubChem (CID 117423106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).