4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one

C22H27NO — CID 14553361

IUPAC4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one
SMILESO=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27NO/c24-22(21-11-5-2-6-12-21)13-7-10-19-14-16-23(17-15-19)18-20-8-3-1-4-9-20/h1-6,8-9,11-12,19H,7,10,13-18H2
InChIKeyRDSSFJPVRUMCRS-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.95
Rot. Bonds7

About 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one

4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one (PubChem CID 14553361) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one
PubChem CID14553361
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one
SMILESO=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27NO/c24-22(21-11-5-2-6-12-21)13-7-10-19-14-16-23(17-15-19)18-20-8-3-1-4-9-20/h1-6,8-9,11-12,19H,7,10,13-18H2
InChIKeyRDSSFJPVRUMCRS-UHFFFAOYSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one (CID 14553361) is 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one is O=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one?
The InChIKey is RDSSFJPVRUMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-22(21-11-5-2-6-12-21)13-7-10-19-14-16-23(17-15-19)18-20-8-3-1-4-9-20/h1-6,8-9,11-12,19H,7,10,13-18H2.
What are the key properties of 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one?
4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one has a molecular weight of 321.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 14553361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).