2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one

C18H25NO2 — CID 101385570

IUPAC2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one
SMILESCCCC(O)(/C=C/c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H25NO2/c1-2-12-18(21,13-11-16-9-5-3-6-10-16)17(20)19-14-7-4-8-15-19/h3,5-6,9-11,13,21H,2,4,7-8,12,14-15H2,1H3/b13-11+
InChIKeyGREPOYJIGGOJSE-ACCUITESSA-N
MW287.40 g/mol
LogP3.24
Rot. Bonds5

About 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one

2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one (PubChem CID 101385570) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one
PubChem CID101385570
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one
SMILESCCCC(O)(/C=C/c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H25NO2/c1-2-12-18(21,13-11-16-9-5-3-6-10-16)17(20)19-14-7-4-8-15-19/h3,5-6,9-11,13,21H,2,4,7-8,12,14-15H2,1H3/b13-11+
InChIKeyGREPOYJIGGOJSE-ACCUITESSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2,2-diphenylhexan-1-one
CID 166327388
N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
CID 70157803
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
2-hydroxy-4-phenyl-2-(2-phenylethyl)but-3-enoic acid
CID 174606516
4-phenyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 57310756
2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone
CID 67755700
piperidine-1-carboxylic acid;styrene
CID 174300067
5-phenyl-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 2798165
diethyl benzene-1,2-dicarboxylate;1-(2-phenylethenyl)piperidine
CID 86754086
2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
CID 6611667
6-[(E)-2-phenylethenyl]undecan-6-ol
CID 16664378
(E)-1-(azepan-1-yl)-3-phenylprop-2-en-1-one;4-hydroxydodecanoic acid
CID 172769337

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one (CID 101385570) is 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one is CCCC(O)(/C=C/c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one?
The InChIKey is GREPOYJIGGOJSE-ACCUITESSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-12-18(21,13-11-16-9-5-3-6-10-16)17(20)19-14-7-4-8-15-19/h3,5-6,9-11,13,21H,2,4,7-8,12,14-15H2,1H3/b13-11+.
What are the key properties of 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one?
2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 101385570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).