6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline

C16H18N2O3 — CID 106542165

IUPAC6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1cc2cc3c(cc2c(O[C@H]2CCCNC2)n1)OCCO3
InChIInChI=1S/C16H18N2O3/c1-2-12(10-17-4-1)21-16-13-9-15-14(19-6-7-20-15)8-11(13)3-5-18-16/h3,5,8-9,12,17H,1-2,4,6-7,10H2/t12-/m0/s1
InChIKeyCLNDVJJWKAXHJV-LBPRGKRZSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds2

About 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline

6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 106542165) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID106542165
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1cc2cc3c(cc2c(O[C@H]2CCCNC2)n1)OCCO3
InChIInChI=1S/C16H18N2O3/c1-2-12(10-17-4-1)21-16-13-9-15-14(19-6-7-20-15)8-11(13)3-5-18-16/h3,5,8-9,12,17H,1-2,4,6-7,10H2/t12-/m0/s1
InChIKeyCLNDVJJWKAXHJV-LBPRGKRZSA-N
XLogP2.14
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995476
5-(pyrrolidin-3-ylmethoxy)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106542072
3-([1,3]dioxolo[4,5-g]isoquinolin-5-yloxy)cyclopentan-1-amine
CID 106542173
1-pyrrolidin-3-yloxyisoquinoline;hydrochloride
CID 14497379
5-methoxy-1-piperidin-3-yloxyisoquinoline
CID 106542054
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
6-pyrrolidin-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995475
2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854
5-bromo-3-methoxy-2-piperidin-3-yloxypyrazine
CID 131278584
4-[(3S)-piperidin-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidine
CID 86706460
ethane;3-methyl-2-piperidin-3-yloxypyridine-4-carbonitrile
CID 144616313
3-methyl-4-piperidin-3-yloxy-1,2,5-oxadiazole
CID 82407232

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline (CID 106542165) is 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is c1cc2cc3c(cc2c(O[C@H]2CCCNC2)n1)OCCO3.
What is the InChIKey of 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is CLNDVJJWKAXHJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-12(10-17-4-1)21-16-13-9-15-14(19-6-7-20-15)8-11(13)3-5-18-16/h3,5,8-9,12,17H,1-2,4,6-7,10H2/t12-/m0/s1.
What are the key properties of 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline?
6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 286.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-piperidin-3-yl]oxy-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 106542165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).