8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol

C16H23NO3 — CID 82188687

IUPAC8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cccc2c1OCC(O)C2N1CCCCC1C
InChIInChI=1S/C16H23NO3/c1-11-6-3-4-9-17(11)15-12-7-5-8-14(19-2)16(12)20-10-13(15)18/h5,7-8,11,13,15,18H,3-4,6,9-10H2,1-2H3
InChIKeyAORUZSGDDWDVPL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds2

About 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol

8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188687) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188687
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1cccc2c1OCC(O)C2N1CCCCC1C
InChIInChI=1S/C16H23NO3/c1-11-6-3-4-9-17(11)15-12-7-5-8-14(19-2)16(12)20-10-13(15)18/h5,7-8,11,13,15,18H,3-4,6,9-10H2,1-2H3
InChIKeyAORUZSGDDWDVPL-UHFFFAOYSA-N
XLogP2.36
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-ethoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188705
4-(azepan-1-yl)-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188688
8-methoxy-3-[(2-methylpiperidin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188227
4-(2-ethylpiperidin-1-yl)-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 82188387
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 6610472
6-chloro-8-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188627
8-chloro-6-ethyl-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol
CID 82188675
(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
CID 70426824
1-[4-(4-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)piperazin-1-yl]ethanone
CID 82187050
8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
CID 82188560
4-[butyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188692
4-[benzyl(methyl)amino]-8-methoxy-3,4-dihydro-2H-chromen-3-ol
CID 82188689

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol (CID 82188687) is 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is COc1cccc2c1OCC(O)C2N1CCCCC1C.
What is the InChIKey of 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is AORUZSGDDWDVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-6-3-4-9-17(11)15-12-7-5-8-14(19-2)16(12)20-10-13(15)18/h5,7-8,11,13,15,18H,3-4,6,9-10H2,1-2H3.
What are the key properties of 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol?
8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 277.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(2-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).