2-(3-hydroxypiperidin-1-yl)acetaldehyde

C7H13NO2 — CID 62035044

IUPAC2-(3-hydroxypiperidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC(O)C1
InChIInChI=1S/C7H13NO2/c9-5-4-8-3-1-2-7(10)6-8/h5,7,10H,1-4,6H2
InChIKeyDXWAJUOMJFCXNN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.36
Rot. Bonds2

About 2-(3-hydroxypiperidin-1-yl)acetaldehyde

2-(3-hydroxypiperidin-1-yl)acetaldehyde (PubChem CID 62035044) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)acetaldehyde
PubChem CID62035044
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(3-hydroxypiperidin-1-yl)acetaldehyde
SMILESO=CCN1CCCC(O)C1
InChIInChI=1S/C7H13NO2/c9-5-4-8-3-1-2-7(10)6-8/h5,7,10H,1-4,6H2
InChIKeyDXWAJUOMJFCXNN-UHFFFAOYSA-N
XLogP-0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]acetaldehyde
CID 90692786
N-[2-(3-hydroxypiperidin-1-yl)ethyl]formamide
CID 88885612
1-(chloromethyl)piperidin-3-ol
CID 53403087
2-ethyl-2-[(3-hydroxypiperidin-1-yl)methyl]butanal
CID 62275701
2-[3-(methylaminomethyl)piperidin-1-yl]acetaldehyde
CID 62031139
1-(nitromethyl)piperidin-3-ol
CID 130682637
1-(2-hydrazinylethyl)piperidin-3-ol
CID 130124439
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)acetaldehyde?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)acetaldehyde (CID 62035044) is 2-(3-hydroxypiperidin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)acetaldehyde is O=CCN1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)acetaldehyde?
The InChIKey is DXWAJUOMJFCXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-5-4-8-3-1-2-7(10)6-8/h5,7,10H,1-4,6H2.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)acetaldehyde?
2-(3-hydroxypiperidin-1-yl)acetaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)acetaldehyde is sourced from PubChem (CID 62035044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).