4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol

C15H24N2O3 — CID 143612702

IUPAC4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol
SMILESCCCC(NCc1cc2c(cn1)OCCO2)C(O)CC
InChIInChI=1S/C15H24N2O3/c1-3-5-12(13(18)4-2)17-9-11-8-14-15(10-16-11)20-7-6-19-14/h8,10,12-13,17-18H,3-7,9H2,1-2H3
InChIKeyTUEAZMPWIRDWDA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.88
Rot. Bonds7

About 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol

4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol (PubChem CID 143612702) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol
PubChem CID143612702
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol
SMILESCCCC(NCc1cc2c(cn1)OCCO2)C(O)CC
InChIInChI=1S/C15H24N2O3/c1-3-5-12(13(18)4-2)17-9-11-8-14-15(10-16-11)20-7-6-19-14/h8,10,12-13,17-18H,3-7,9H2,1-2H3
InChIKeyTUEAZMPWIRDWDA-UHFFFAOYSA-N
XLogP1.88
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-c]pyridine
CID 89207197
7-(iodomethyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 154556737
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
CID 86346260
(E)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-(dimethylamino)but-2-enamide
CID 146097875
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-2-ol
CID 171268725
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
CID 62117418
(2S,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 69073881
1-[6-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-7-fluoro-3-methyloctyl]-7-fluoro-1,5-naphthyridin-2-one
CID 71137972
N-pentan-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106537238
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-6-methyl-1H-indazol-5-amine
CID 167835504
ethane;N-methyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-amine
CID 176977794
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-morpholin-2-ylmethanamine
CID 141190543

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol?
The IUPAC name of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol (CID 143612702) is 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol.
What is the SMILES notation for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol?
The canonical SMILES for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol is CCCC(NCc1cc2c(cn1)OCCO2)C(O)CC.
What is the InChIKey of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol?
The InChIKey is TUEAZMPWIRDWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-12(13(18)4-2)17-9-11-8-14-15(10-16-11)20-7-6-19-14/h8,10,12-13,17-18H,3-7,9H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol?
4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol has a molecular weight of 280.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)heptan-3-ol is sourced from PubChem (CID 143612702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).