2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one

C22H25NO2 — CID 45487215

IUPAC2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCN(CCc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C22H25NO2/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
InChIKeyDPYSIQOGDICBEW-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.98
Rot. Bonds4

About 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one

2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one (PubChem CID 45487215) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
PubChem CID45487215
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESO=C1CC(C2CCN(CCc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C22H25NO2/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
InChIKeyDPYSIQOGDICBEW-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one (CID 45487215) is 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one is O=C1CC(C2CCN(CCc3ccccc3)CC2)Oc2ccccc21.
What is the InChIKey of 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
The InChIKey is DPYSIQOGDICBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2.
What are the key properties of 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one?
2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one has a molecular weight of 335.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 45487215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).