3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol

C16H24N2O2 — CID 62545588

IUPAC3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
SMILESCN1CCCC(N(C)C2COc3ccccc3C2O)C1
InChIInChI=1S/C16H24N2O2/c1-17-9-5-6-12(10-17)18(2)14-11-20-15-8-4-3-7-13(15)16(14)19/h3-4,7-8,12,14,16,19H,5-6,9-11H2,1-2H3
InChIKeyAQPGTCHPJMWFGG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds2

About 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol

3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 62545588) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
PubChem CID62545588
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
SMILESCN1CCCC(N(C)C2COc3ccccc3C2O)C1
InChIInChI=1S/C16H24N2O2/c1-17-9-5-6-12(10-17)18(2)14-11-20-15-8-4-3-7-13(15)16(14)19/h3-4,7-8,12,14,16,19H,5-6,9-11H2,1-2H3
InChIKeyAQPGTCHPJMWFGG-UHFFFAOYSA-N
XLogP1.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol (CID 62545588) is 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol is CN1CCCC(N(C)C2COc3ccccc3C2O)C1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AQPGTCHPJMWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-9-5-6-12(10-17)18(2)14-11-20-15-8-4-3-7-13(15)16(14)19/h3-4,7-8,12,14,16,19H,5-6,9-11H2,1-2H3.
What are the key properties of 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol?
3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 276.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 62545588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).