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

C13H16ClNO2 — CID 117387263

IUPAC3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
SMILESClc1cc2c(cc1C1CCCNC1)OCCO2
InChIInChI=1S/C13H16ClNO2/c14-11-7-13-12(16-4-5-17-13)6-10(11)9-2-1-3-15-8-9/h6-7,9,15H,1-5,8H2
InChIKeyLJQJYDGLWSHYDZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.58
Rot. Bonds1

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

3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine (PubChem CID 117387263) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine.

Molecular Properties

Compound Name3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
PubChem CID117387263
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
SMILESClc1cc2c(cc1C1CCCNC1)OCCO2
InChIInChI=1S/C13H16ClNO2/c14-11-7-13-12(16-4-5-17-13)6-10(11)9-2-1-3-15-8-9/h6-7,9,15H,1-5,8H2
InChIKeyLJQJYDGLWSHYDZ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]piperidine
CID 117473562
3-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]piperidine
CID 117478896
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067
4-chloro-3-piperidin-3-ylphenol
CID 84678781
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
The IUPAC name of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine (CID 117387263) is 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine.
What is the SMILES notation for 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
The canonical SMILES for 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine is Clc1cc2c(cc1C1CCCNC1)OCCO2.
What is the InChIKey of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
The InChIKey is LJQJYDGLWSHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-11-7-13-12(16-4-5-17-13)6-10(11)9-2-1-3-15-8-9/h6-7,9,15H,1-5,8H2.
What are the key properties of 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine?
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine has a molecular weight of 253.73 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine is sourced from PubChem (CID 117387263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).