4-(1-benzylpiperidin-4-yl)butan-2-one

C16H23NO — CID 83983179

IUPAC4-(1-benzylpiperidin-4-yl)butan-2-one
SMILESCC(=O)CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14(18)7-8-15-9-11-17(12-10-15)13-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3
InChIKeyLZOWWEPBSYLVBX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds5

About 4-(1-benzylpiperidin-4-yl)butan-2-one

4-(1-benzylpiperidin-4-yl)butan-2-one (PubChem CID 83983179) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)butan-2-one
PubChem CID83983179
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-(1-benzylpiperidin-4-yl)butan-2-one
SMILESCC(=O)CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-14(18)7-8-15-9-11-17(12-10-15)13-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3
InChIKeyLZOWWEPBSYLVBX-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
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)butan-2-one?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)butan-2-one (CID 83983179) is 4-(1-benzylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)butan-2-one is CC(=O)CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)butan-2-one?
The InChIKey is LZOWWEPBSYLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-14(18)7-8-15-9-11-17(12-10-15)13-16-5-3-2-4-6-16/h2-6,15H,7-13H2,1H3.
What are the key properties of 4-(1-benzylpiperidin-4-yl)butan-2-one?
4-(1-benzylpiperidin-4-yl)butan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.27, 5 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)butan-2-one is sourced from PubChem (CID 83983179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).