4,4-diphenyl-1-piperidin-1-ylbutan-2-one

C21H25NO — CID 13785

IUPAC4,4-diphenyl-1-piperidin-1-ylbutan-2-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C21H25NO/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2
InChIKeyHBVOYFHEMFUNIH-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.26
Rot. Bonds6

About 4,4-diphenyl-1-piperidin-1-ylbutan-2-one

4,4-diphenyl-1-piperidin-1-ylbutan-2-one (PubChem CID 13785) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 4,4-diphenyl-1-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name4,4-diphenyl-1-piperidin-1-ylbutan-2-one
PubChem CID13785
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name4,4-diphenyl-1-piperidin-1-ylbutan-2-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)CN1CCCCC1
InChIInChI=1S/C21H25NO/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2
InChIKeyHBVOYFHEMFUNIH-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-1-piperidin-1-ylbutan-2-one?
The IUPAC name of 4,4-diphenyl-1-piperidin-1-ylbutan-2-one (CID 13785) is 4,4-diphenyl-1-piperidin-1-ylbutan-2-one.
What is the SMILES notation for 4,4-diphenyl-1-piperidin-1-ylbutan-2-one?
The canonical SMILES for 4,4-diphenyl-1-piperidin-1-ylbutan-2-one is O=C(CC(c1ccccc1)c1ccccc1)CN1CCCCC1.
What is the InChIKey of 4,4-diphenyl-1-piperidin-1-ylbutan-2-one?
The InChIKey is HBVOYFHEMFUNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-20(17-22-14-8-3-9-15-22)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2.
What are the key properties of 4,4-diphenyl-1-piperidin-1-ylbutan-2-one?
4,4-diphenyl-1-piperidin-1-ylbutan-2-one has a molecular weight of 307.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-1-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 13785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).