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

C22H25NO2 — CID 11773145

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO2/c24-22-19(16-25-21-9-5-4-8-20(21)22)15-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2
InChIKeyODWZSCLUZWGCOH-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.83
Rot. Bonds4

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

3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one (PubChem CID 11773145) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one
PubChem CID11773145
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO2/c24-22-19(16-25-21-9-5-4-8-20(21)22)15-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2
InChIKeyODWZSCLUZWGCOH-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one (CID 11773145) is 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one?
The InChIKey is ODWZSCLUZWGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-22-19(16-25-21-9-5-4-8-20(21)22)15-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one?
3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one has a molecular weight of 335.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11773145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).