5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

C16H19NO2 — CID 86001004

IUPAC5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(C=CC=Cc1ccc(O)cc1)N1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2
InChIKeyQDAARMDLSCDBFU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.97
Rot. Bonds3

About 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 86001004) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID86001004
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(C=CC=Cc1ccc(O)cc1)N1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2
InChIKeyQDAARMDLSCDBFU-UHFFFAOYSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
(2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 163759026
(2E,4E,6E)-7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,4,6-trien-1-one
CID 10244953
4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
CID 77047625
(2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpenta-2,4-dien-1-one
CID 11471237
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid;(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 160815421
(2E,4E,6E)-1-piperidin-1-yl-7-(3,4,5-trimethoxyphenyl)hepta-2,4,6-trien-1-one
CID 118715509
11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenoic acid
CID 91104661
(2E,4E)-5-iodo-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 134893333
(Z)-3-[4-(dimethylamino)phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 97305646
(2E,4E)-5-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)penta-2,4-dien-1-one
CID 139551866

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one (CID 86001004) is 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one is O=C(C=CC=Cc1ccc(O)cc1)N1CCCCC1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is QDAARMDLSCDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2.
What are the key properties of 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 86001004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).