6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol

C16H23NO3 — CID 82187147

IUPAC6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N1CCCCC1)CO2
InChIInChI=1S/C16H23NO3/c1-2-19-12-6-7-15-13(10-12)16(18)14(11-20-15)17-8-4-3-5-9-17/h6-7,10,14,16,18H,2-5,8-9,11H2,1H3
InChIKeyNYCDWRXDMITWOU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.37
Rot. Bonds3

About 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol

6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 82187147) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID82187147
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc2c(c1)C(O)C(N1CCCCC1)CO2
InChIInChI=1S/C16H23NO3/c1-2-19-12-6-7-15-13(10-12)16(18)14(11-20-15)17-8-4-3-5-9-17/h6-7,10,14,16,18H,2-5,8-9,11H2,1H3
InChIKeyNYCDWRXDMITWOU-UHFFFAOYSA-N
XLogP2.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol (CID 82187147) is 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol is CCOc1ccc2c(c1)C(O)C(N1CCCCC1)CO2.
What is the InChIKey of 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is NYCDWRXDMITWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-12-6-7-15-13(10-12)16(18)14(11-20-15)17-8-4-3-5-9-17/h6-7,10,14,16,18H,2-5,8-9,11H2,1H3.
What are the key properties of 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol?
6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 277.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-piperidin-1-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 82187147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).