2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde

C10H18N2O2 — CID 57272925

IUPAC2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1N1CCC(O)C1
InChIInChI=1S/C10H18N2O2/c13-8-12-5-2-1-3-10(12)11-6-4-9(14)7-11/h8-10,14H,1-7H2
InChIKeyJNJLLFXSHFKFSM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.02
Rot. Bonds2

About 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde

2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde (PubChem CID 57272925) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde
PubChem CID57272925
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCCCC1N1CCC(O)C1
InChIInChI=1S/C10H18N2O2/c13-8-12-5-2-1-3-10(12)11-6-4-9(14)7-11/h8-10,14H,1-7H2
InChIKeyJNJLLFXSHFKFSM-UHFFFAOYSA-N
XLogP0.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde (CID 57272925) is 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde is O=CN1CCCCC1N1CCC(O)C1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde?
The InChIKey is JNJLLFXSHFKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-8-12-5-2-1-3-10(12)11-6-4-9(14)7-11/h8-10,14H,1-7H2.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde?
2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde has a molecular weight of 198.27 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 57272925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).