6-(4-piperidin-1-ylbutoxy)chromen-4-one

C18H23NO3 — CID 141195342

IUPAC6-(4-piperidin-1-ylbutoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
InChIInChI=1S/C18H23NO3/c20-17-8-13-22-18-7-6-15(14-16(17)18)21-12-5-4-11-19-9-2-1-3-10-19/h6-8,13-14H,1-5,9-12H2
InChIKeyYCJCZVUHPAFTTR-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.44
Rot. Bonds6

About 6-(4-piperidin-1-ylbutoxy)chromen-4-one

6-(4-piperidin-1-ylbutoxy)chromen-4-one (PubChem CID 141195342) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(4-piperidin-1-ylbutoxy)chromen-4-one.

Molecular Properties

Compound Name6-(4-piperidin-1-ylbutoxy)chromen-4-one
PubChem CID141195342
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name6-(4-piperidin-1-ylbutoxy)chromen-4-one
SMILESO=c1ccoc2ccc(OCCCCN3CCCCC3)cc12
InChIInChI=1S/C18H23NO3/c20-17-8-13-22-18-7-6-15(14-16(17)18)21-12-5-4-11-19-9-2-1-3-10-19/h6-8,13-14H,1-5,9-12H2
InChIKeyYCJCZVUHPAFTTR-UHFFFAOYSA-N
XLogP3.44
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-piperidin-1-ylbutoxy)chromen-4-one?
The IUPAC name of 6-(4-piperidin-1-ylbutoxy)chromen-4-one (CID 141195342) is 6-(4-piperidin-1-ylbutoxy)chromen-4-one.
What is the SMILES notation for 6-(4-piperidin-1-ylbutoxy)chromen-4-one?
The canonical SMILES for 6-(4-piperidin-1-ylbutoxy)chromen-4-one is O=c1ccoc2ccc(OCCCCN3CCCCC3)cc12.
What is the InChIKey of 6-(4-piperidin-1-ylbutoxy)chromen-4-one?
The InChIKey is YCJCZVUHPAFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17-8-13-22-18-7-6-15(14-16(17)18)21-12-5-4-11-19-9-2-1-3-10-19/h6-8,13-14H,1-5,9-12H2.
What are the key properties of 6-(4-piperidin-1-ylbutoxy)chromen-4-one?
6-(4-piperidin-1-ylbutoxy)chromen-4-one has a molecular weight of 301.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperidin-1-ylbutoxy)chromen-4-one is sourced from PubChem (CID 141195342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).