2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one

C22H23NO2 — CID 10616657

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one
SMILESO=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C22H23NO2/c24-21-15-19(25-22-9-5-4-8-20(21)22)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2
InChIKeyQKHWOVCJIMCXNT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.25
Rot. Bonds4

About 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one

2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one (PubChem CID 10616657) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one
PubChem CID10616657
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one
SMILESO=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12
InChIInChI=1S/C22H23NO2/c24-21-15-19(25-22-9-5-4-8-20(21)22)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2
InChIKeyQKHWOVCJIMCXNT-UHFFFAOYSA-N
XLogP4.25
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one (CID 10616657) is 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one is O=c1cc(CN2CCC(Cc3ccccc3)CC2)oc2ccccc12.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one?
The InChIKey is QKHWOVCJIMCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-21-15-19(25-22-9-5-4-8-20(21)22)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,15,18H,10-14,16H2.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one?
2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one has a molecular weight of 333.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]chromen-4-one is sourced from PubChem (CID 10616657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).