2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde

C10H19NO3 — CID 126718825

IUPAC2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde
SMILESO=CCOCCN1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c12-6-8-14-7-5-11-3-1-10(9-13)2-4-11/h6,10,13H,1-5,7-9H2
InChIKeyZOYXWPFEYUDRBG-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.09
Rot. Bonds6

About 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde

2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde (PubChem CID 126718825) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde
PubChem CID126718825
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde
SMILESO=CCOCCN1CCC(CO)CC1
InChIInChI=1S/C10H19NO3/c12-6-8-14-7-5-11-3-1-10(9-13)2-4-11/h6,10,13H,1-5,7-9H2
InChIKeyZOYXWPFEYUDRBG-UHFFFAOYSA-N
XLogP-0.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821
methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde
CID 163291744
methanamine;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetaldehyde
CID 171070563
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol
CID 145107636
2-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-N,N-dimethylacetamide
CID 110027884
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
[1-[2-(azetidin-3-yl)ethyl]piperidin-4-yl]methanol
CID 107391013
[1-[2-(azetidin-2-yl)ethyl]piperidin-4-yl]methanol
CID 123835791
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde?
The IUPAC name of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde (CID 126718825) is 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde is O=CCOCCN1CCC(CO)CC1.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde?
The InChIKey is ZOYXWPFEYUDRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-6-8-14-7-5-11-3-1-10(9-13)2-4-11/h6,10,13H,1-5,7-9H2.
What are the key properties of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde?
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde has a molecular weight of 201.27 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde is sourced from PubChem (CID 126718825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).