3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one

C21H25NO — CID 10040889

IUPAC3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2
InChIKeyXDGMPBUKARQUCK-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.56
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one

3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one (PubChem CID 10040889) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one
PubChem CID10040889
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2
InChIKeyXDGMPBUKARQUCK-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one (CID 10040889) is 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one?
The InChIKey is XDGMPBUKARQUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19/h1-10,18H,11-17H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one?
3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one has a molecular weight of 307.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 10040889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).