8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol

C14H18ClNO3 — CID 117456067

IUPAC8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
SMILESOc1c(Cl)cc2c(c1C1CCCNC1)OCCCO2
InChIInChI=1S/C14H18ClNO3/c15-10-7-11-14(19-6-2-5-18-11)12(13(10)17)9-3-1-4-16-8-9/h7,9,16-17H,1-6,8H2
InChIKeyQUHFCAKMPIOCAG-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.67
Rot. Bonds1

About 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol

8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol (PubChem CID 117456067) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol.

Molecular Properties

Compound Name8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
PubChem CID117456067
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
SMILESOc1c(Cl)cc2c(c1C1CCCNC1)OCCCO2
InChIInChI=1S/C14H18ClNO3/c15-10-7-11-14(19-6-2-5-18-11)12(13(10)17)9-3-1-4-16-8-9/h7,9,16-17H,1-6,8H2
InChIKeyQUHFCAKMPIOCAG-UHFFFAOYSA-N
XLogP2.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-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

3-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476785
3-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperidine
CID 117451438
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 84680580
(16S)-10-chloro-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-ol
CID 79014140
5-chloro-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117456203
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-piperidin-3-ylmethanol
CID 43330491
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
CID 117385756
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
The IUPAC name of 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol (CID 117456067) is 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol.
What is the SMILES notation for 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
The canonical SMILES for 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol is Oc1c(Cl)cc2c(c1C1CCCNC1)OCCCO2.
What is the InChIKey of 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
The InChIKey is QUHFCAKMPIOCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-10-7-11-14(19-6-2-5-18-11)12(13(10)17)9-3-1-4-16-8-9/h7,9,16-17H,1-6,8H2.
What are the key properties of 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol has a molecular weight of 283.75 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol is sourced from PubChem (CID 117456067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).