(2S,3R)-piperidine-2,3-dicarbaldehyde

C7H11NO2 — CID 171114997

IUPAC(2S,3R)-piperidine-2,3-dicarbaldehyde
SMILESO=C[C@@H]1CCCN[C@@H]1C=O
InChIInChI=1S/C7H11NO2/c9-4-6-2-1-3-8-7(6)5-10/h4-8H,1-3H2/t6-,7+/m0/s1
InChIKeyPBEAMNPRSCTKRV-NKWVEPMBSA-N
MW141.17 g/mol
LogP-0.25
Rot. Bonds2

About (2S,3R)-piperidine-2,3-dicarbaldehyde

(2S,3R)-piperidine-2,3-dicarbaldehyde (PubChem CID 171114997) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S,3R)-piperidine-2,3-dicarbaldehyde.

Molecular Properties

Compound Name(2S,3R)-piperidine-2,3-dicarbaldehyde
PubChem CID171114997
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2S,3R)-piperidine-2,3-dicarbaldehyde
SMILESO=C[C@@H]1CCCN[C@@H]1C=O
InChIInChI=1S/C7H11NO2/c9-4-6-2-1-3-8-7(6)5-10/h4-8H,1-3H2/t6-,7+/m0/s1
InChIKeyPBEAMNPRSCTKRV-NKWVEPMBSA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.25
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

(6R)-6-methylpiperidine-3-carbaldehyde
CID 163663202
(3R)-3-(trifluoromethyl)piperidine-2-carbaldehyde
CID 169961235
3-(Trifluoromethyl)piperidine-2-carbaldehyde
CID 144773728
2-(4-Oxopiperidin-3-yl)acetaldehyde
CID 11768669
3-Azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 18506737
(2S)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 21131867
2-Amino-3-piperidin-4-ylpropanal
CID 22642524
2-Amino-3-piperidin-3-ylpropanal
CID 22642526
3-Propanoylpiperidine-2-carbaldehyde
CID 54332363
(2S)-2-amino-3-piperidin-3-ylpropanal
CID 54403691
(2S)-2-amino-3-piperidin-4-ylpropanal
CID 54491529
(2R)-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 87354624

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-piperidine-2,3-dicarbaldehyde?
The IUPAC name of (2S,3R)-piperidine-2,3-dicarbaldehyde (CID 171114997) is (2S,3R)-piperidine-2,3-dicarbaldehyde.
What is the SMILES notation for (2S,3R)-piperidine-2,3-dicarbaldehyde?
The canonical SMILES for (2S,3R)-piperidine-2,3-dicarbaldehyde is O=C[C@@H]1CCCN[C@@H]1C=O.
What is the InChIKey of (2S,3R)-piperidine-2,3-dicarbaldehyde?
The InChIKey is PBEAMNPRSCTKRV-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H11NO2/c9-4-6-2-1-3-8-7(6)5-10/h4-8H,1-3H2/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-piperidine-2,3-dicarbaldehyde?
(2S,3R)-piperidine-2,3-dicarbaldehyde has a molecular weight of 141.17 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-piperidine-2,3-dicarbaldehyde is sourced from PubChem (CID 171114997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).