4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde

C6H12NO2P — CID 143380034

IUPAC4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)(P)CC1
InChIInChI=1S/C6H12NO2P/c8-5-7-3-1-6(9,10)2-4-7/h5,9H,1-4,10H2
InChIKeySZDFUJDVULUOKG-UHFFFAOYSA-N
MW161.14 g/mol
LogP-0.20
Rot. Bonds1

About 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde

4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde (PubChem CID 143380034) has the molecular formula C6H12NO2P and a molecular weight of 161.14 g/mol. Its IUPAC name is 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde
PubChem CID143380034
Molecular FormulaC6H12NO2P
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde
SMILESO=CN1CCC(O)(P)CC1
InChIInChI=1S/C6H12NO2P/c8-5-7-3-1-6(9,10)2-4-7/h5,9H,1-4,10H2
InChIKeySZDFUJDVULUOKG-UHFFFAOYSA-N
XLogP-0.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxypiperidine-1-carbaldehyde
CID 15172743
4,4-Dihydroxypiperidine-1-carbaldehyde
CID 58922197

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde?
The IUPAC name of 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde (CID 143380034) is 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde is O=CN1CCC(O)(P)CC1.
What is the InChIKey of 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde?
The InChIKey is SZDFUJDVULUOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO2P/c8-5-7-3-1-6(9,10)2-4-7/h5,9H,1-4,10H2.
What are the key properties of 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde?
4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde has a molecular weight of 161.14 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phosphanylpiperidine-1-carbaldehyde is sourced from PubChem (CID 143380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).