1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one

C20H23NO — CID 14970538

IUPAC1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyIAZRWWTVBUBBTQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.14
Rot. Bonds5

About 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one

1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one (PubChem CID 14970538) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one
PubChem CID14970538
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one
SMILESO=C(CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyIAZRWWTVBUBBTQ-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one (CID 14970538) is 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one is O=C(CCN1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one?
The InChIKey is IAZRWWTVBUBBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2.
What are the key properties of 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one?
1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-phenylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 14970538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).