6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one

C14H16ClNO3 — CID 59564224

IUPAC6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(OC3CCNCC3)c(Cl)cc21
InChIInChI=1S/C14H16ClNO3/c15-11-7-10-12(17)3-6-18-13(10)8-14(11)19-9-1-4-16-5-2-9/h7-9,16H,1-6H2
InChIKeyOPYOJNXTNXNJQU-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.44
Rot. Bonds2

About 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one

6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one (PubChem CID 59564224) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one
PubChem CID59564224
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(OC3CCNCC3)c(Cl)cc21
InChIInChI=1S/C14H16ClNO3/c15-11-7-10-12(17)3-6-18-13(10)8-14(11)19-9-1-4-16-5-2-9/h7-9,16H,1-6H2
InChIKeyOPYOJNXTNXNJQU-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one (CID 59564224) is 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one is O=C1CCOc2cc(OC3CCNCC3)c(Cl)cc21.
What is the InChIKey of 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one?
The InChIKey is OPYOJNXTNXNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-7-10-12(17)3-6-18-13(10)8-14(11)19-9-1-4-16-5-2-9/h7-9,16H,1-6H2.
What are the key properties of 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one?
6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one has a molecular weight of 281.74 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-piperidin-4-yloxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59564224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).