1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one

C23H29NO2 — CID 12741878

IUPAC1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
SMILESCCC(=O)C(c1ccc(O)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-2-22(26)23(19-8-10-21(25)11-9-19)20-13-16-24(17-14-20)15-12-18-6-4-3-5-7-18/h3-11,20,23,25H,2,12-17H2,1H3
InChIKeyYEPBUCSLPCXDGL-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.41
Rot. Bonds7

About 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one

1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one (PubChem CID 12741878) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
PubChem CID12741878
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one
SMILESCCC(=O)C(c1ccc(O)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-2-22(26)23(19-8-10-21(25)11-9-19)20-13-16-24(17-14-20)15-12-18-6-4-3-5-7-18/h3-11,20,23,25H,2,12-17H2,1H3
InChIKeyYEPBUCSLPCXDGL-UHFFFAOYSA-N
XLogP4.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one (CID 12741878) is 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one is CCC(=O)C(c1ccc(O)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
The InChIKey is YEPBUCSLPCXDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-22(26)23(19-8-10-21(25)11-9-19)20-13-16-24(17-14-20)15-12-18-6-4-3-5-7-18/h3-11,20,23,25H,2,12-17H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one?
1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one has a molecular weight of 351.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-1-[1-(2-phenylethyl)piperidin-4-yl]butan-2-one is sourced from PubChem (CID 12741878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).