2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine

C13H16ClNO2 — CID 117387272

IUPAC2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine
SMILESClc1cc2c(cc1C1CCCCN1)OCOC2
InChIInChI=1S/C13H16ClNO2/c14-11-5-9-7-16-8-17-13(9)6-10(11)12-3-1-2-4-15-12/h5-6,12,15H,1-4,7-8H2
InChIKeyJSIGIRYIMBMVEQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.02
Rot. Bonds1

About 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine

2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine (PubChem CID 117387272) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine.

Molecular Properties

Compound Name2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine
PubChem CID117387272
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine
SMILESClc1cc2c(cc1C1CCCCN1)OCOC2
InChIInChI=1S/C13H16ClNO2/c14-11-5-9-7-16-8-17-13(9)6-10(11)12-3-1-2-4-15-12/h5-6,12,15H,1-4,7-8H2
InChIKeyJSIGIRYIMBMVEQ-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.02
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-(7-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)piperidine
CID 117476724
(2R)-2-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519430
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
2-(6-chloro-4H-1,3-benzodioxin-5-yl)pyrrolidine
CID 84701571
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
CID 171192921
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
2,4-dichloro-5-[(2R)-piperidin-2-yl]pyridine
CID 130788142
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
(2R)-2-(5-bromo-2-chlorophenyl)piperidine
CID 130632446
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine?
The IUPAC name of 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine (CID 117387272) is 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine.
What is the SMILES notation for 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine?
The canonical SMILES for 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine is Clc1cc2c(cc1C1CCCCN1)OCOC2.
What is the InChIKey of 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine?
The InChIKey is JSIGIRYIMBMVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-5-9-7-16-8-17-13(9)6-10(11)12-3-1-2-4-15-12/h5-6,12,15H,1-4,7-8H2.
What are the key properties of 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine?
2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine has a molecular weight of 253.73 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine is sourced from PubChem (CID 117387272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).