6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol

C14H18ClNO3 — CID 117456202

IUPAC6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESOc1cc2c(c(CC3CCCNC3)c1Cl)OCCO2
InChIInChI=1S/C14H18ClNO3/c15-13-10(6-9-2-1-3-16-8-9)14-12(7-11(13)17)18-4-5-19-14/h7,9,16-17H,1-6,8H2
InChIKeyBELARDTYPAJELP-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.36
Rot. Bonds2

About 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol

6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol (PubChem CID 117456202) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol.

Molecular Properties

Compound Name6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
PubChem CID117456202
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
SMILESOc1cc2c(c(CC3CCCNC3)c1Cl)OCCO2
InChIInChI=1S/C14H18ClNO3/c15-13-10(6-9-2-1-3-16-8-9)14-12(7-11(13)17)18-4-5-19-14/h7,9,16-17H,1-6,8H2
InChIKeyBELARDTYPAJELP-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
3-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperidine
CID 117460257
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
6-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376569
6-(piperidin-3-ylmethyl)-1,3-benzodioxol-4-ol
CID 84797363
6-chloro-5-(2-piperazin-1-ylethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117481309
3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
CID 84800063
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563
6-fluoro-5-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117385518
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The IUPAC name of 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol (CID 117456202) is 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol.
What is the SMILES notation for 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The canonical SMILES for 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol is Oc1cc2c(c(CC3CCCNC3)c1Cl)OCCO2.
What is the InChIKey of 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol?
The InChIKey is BELARDTYPAJELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-13-10(6-9-2-1-3-16-8-9)14-12(7-11(13)17)18-4-5-19-14/h7,9,16-17H,1-6,8H2.
What are the key properties of 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol?
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol has a molecular weight of 283.75 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol is sourced from PubChem (CID 117456202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).