[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone

C16H21NO2 — CID 11021598

IUPAC[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C/C=C/CO)CC1
InChIInChI=1S/C16H21NO2/c18-13-5-4-6-14-9-11-17(12-10-14)16(19)15-7-2-1-3-8-15/h1-5,7-8,14,18H,6,9-13H2/b5-4+
InChIKeyWNEOUNIJDUTIEG-SNAWJCMRSA-N
MW259.35 g/mol
LogP2.48
Rot. Bonds4

About [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone

[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone (PubChem CID 11021598) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
PubChem CID11021598
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C/C=C/CO)CC1
InChIInChI=1S/C16H21NO2/c18-13-5-4-6-14-9-11-17(12-10-14)16(19)15-7-2-1-3-8-15/h1-5,7-8,14,18H,6,9-13H2/b5-4+
InChIKeyWNEOUNIJDUTIEG-SNAWJCMRSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone (CID 11021598) is [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(C/C=C/CO)CC1.
What is the InChIKey of [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is WNEOUNIJDUTIEG-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H21NO2/c18-13-5-4-6-14-9-11-17(12-10-14)16(19)15-7-2-1-3-8-15/h1-5,7-8,14,18H,6,9-13H2/b5-4+.
What are the key properties of [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone?
[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 259.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 11021598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).