6-amino-4-hydroxypiperidine-2-carbaldehyde

C6H12N2O2 — CID 172767028

IUPAC6-amino-4-hydroxypiperidine-2-carbaldehyde
SMILESNC1CC(O)CC(C=O)N1
InChIInChI=1S/C6H12N2O2/c7-6-2-5(10)1-4(3-9)8-6/h3-6,8,10H,1-2,7H2
InChIKeyMLIZGFPWGWTXOX-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.42
Rot. Bonds1

About 6-amino-4-hydroxypiperidine-2-carbaldehyde

6-amino-4-hydroxypiperidine-2-carbaldehyde (PubChem CID 172767028) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 6-amino-4-hydroxypiperidine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-4-hydroxypiperidine-2-carbaldehyde
PubChem CID172767028
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name6-amino-4-hydroxypiperidine-2-carbaldehyde
SMILESNC1CC(O)CC(C=O)N1
InChIInChI=1S/C6H12N2O2/c7-6-2-5(10)1-4(3-9)8-6/h3-6,8,10H,1-2,7H2
InChIKeyMLIZGFPWGWTXOX-UHFFFAOYSA-N
XLogP-1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-aminopyrrolidine-2-carbaldehyde
CID 173320823
(2R,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 25231927
tert-butyl formate;2,6-dimethylpiperidin-4-ol
CID 174682531
4-(2-hydroxyphenyl)azetidine-2-carbaldehyde
CID 174681874
cyclobutane-1,3-diol
CID 175518786
formic acid;3-methylcyclobutan-1-ol
CID 175459565
5-aminocyclohexane-1,3-diol;hydrochloride
CID 172581218
(4S)-4-(piperidin-1-ylmethyl)azetidine-2-carbaldehyde
CID 174564287
3-hydroxybicyclo[3.2.1]octane-6-carbaldehyde
CID 149368057
N-[(3R,5S)-5-formyl-2-hydroxypyrrolidin-3-yl]benzenesulfonamide
CID 89133553
3-(3-aminocyclobutyl)cyclobutan-1-ol
CID 147350454
4-hydroxy-6-sulfanyloxane-2-carbaldehyde
CID 163884089

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-hydroxypiperidine-2-carbaldehyde?
The IUPAC name of 6-amino-4-hydroxypiperidine-2-carbaldehyde (CID 172767028) is 6-amino-4-hydroxypiperidine-2-carbaldehyde.
What is the SMILES notation for 6-amino-4-hydroxypiperidine-2-carbaldehyde?
The canonical SMILES for 6-amino-4-hydroxypiperidine-2-carbaldehyde is NC1CC(O)CC(C=O)N1.
What is the InChIKey of 6-amino-4-hydroxypiperidine-2-carbaldehyde?
The InChIKey is MLIZGFPWGWTXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-6-2-5(10)1-4(3-9)8-6/h3-6,8,10H,1-2,7H2.
What are the key properties of 6-amino-4-hydroxypiperidine-2-carbaldehyde?
6-amino-4-hydroxypiperidine-2-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of -1.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-hydroxypiperidine-2-carbaldehyde is sourced from PubChem (CID 172767028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).