2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde

C7H11NO3 — CID 21030955

IUPAC2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)N1CCC(O)CC1
InChIInChI=1S/C7H11NO3/c9-5-7(11)8-3-1-6(10)2-4-8/h5-6,10H,1-4H2
InChIKeyQMZBWRHONBWLLD-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.83
Rot. Bonds1

About 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde

2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde (PubChem CID 21030955) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde
PubChem CID21030955
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde
SMILESO=CC(=O)N1CCC(O)CC1
InChIInChI=1S/C7H11NO3/c9-5-7(11)8-3-1-6(10)2-4-8/h5-6,10H,1-4H2
InChIKeyQMZBWRHONBWLLD-UHFFFAOYSA-N
XLogP-0.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
tris(3-hydroxy-1-(4-hydroxypiperidin-1-yl)-4-methylpent-2-en-1-one);iron
CID 148668946
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]formamide
CID 142971251
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
1-(4-hydroxypiperidin-1-yl)dec-2-en-1-one
CID 123727721
tris(4-hydroxy-4-(4-hydroxypiperidin-1-yl)but-3-en-2-one);iron
CID 147842823
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200
(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-20-(4-hydroxypiperidin-1-yl)-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
CID 167424550
(E)-3-[4-(dimethylamino)phenyl]-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415977

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde (CID 21030955) is 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde is O=CC(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde?
The InChIKey is QMZBWRHONBWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-7(11)8-3-1-6(10)2-4-8/h5-6,10H,1-4H2.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde?
2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde has a molecular weight of 157.17 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-2-oxoacetaldehyde is sourced from PubChem (CID 21030955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).