2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one

C21H23NO2 — CID 23465639

IUPAC2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCN(Cc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
InChIKeyJXWUBELNNSQYSV-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.93
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one

2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one (PubChem CID 23465639) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
PubChem CID23465639
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCN(Cc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
InChIKeyJXWUBELNNSQYSV-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one (CID 23465639) is 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one is O=C1CC(C2CCN(Cc3ccccc3)CC2)Oc2ccccc21.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one?
The InChIKey is JXWUBELNNSQYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one?
2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one has a molecular weight of 321.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 23465639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).