piperidin-1-yl dihydrogen phosphite

C5H12NO3P — CID 19971324

IUPACpiperidin-1-yl dihydrogen phosphite
SMILESOP(O)ON1CCCCC1
InChIInChI=1S/C5H12NO3P/c7-10(8)9-6-4-2-1-3-5-6/h7-8H,1-5H2
InChIKeyZDNRHFGRVXPQAI-UHFFFAOYSA-N
MW165.13 g/mol
LogP0.62
Rot. Bonds2

About piperidin-1-yl dihydrogen phosphite

piperidin-1-yl dihydrogen phosphite (PubChem CID 19971324) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is piperidin-1-yl dihydrogen phosphite.

Molecular Properties

Compound Namepiperidin-1-yl dihydrogen phosphite
PubChem CID19971324
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Namepiperidin-1-yl dihydrogen phosphite
SMILESOP(O)ON1CCCCC1
InChIInChI=1S/C5H12NO3P/c7-10(8)9-6-4-2-1-3-5-6/h7-8H,1-5H2
InChIKeyZDNRHFGRVXPQAI-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl dihydrogen phosphite?
The IUPAC name of piperidin-1-yl dihydrogen phosphite (CID 19971324) is piperidin-1-yl dihydrogen phosphite.
What is the SMILES notation for piperidin-1-yl dihydrogen phosphite?
The canonical SMILES for piperidin-1-yl dihydrogen phosphite is OP(O)ON1CCCCC1.
What is the InChIKey of piperidin-1-yl dihydrogen phosphite?
The InChIKey is ZDNRHFGRVXPQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3P/c7-10(8)9-6-4-2-1-3-5-6/h7-8H,1-5H2.
What are the key properties of piperidin-1-yl dihydrogen phosphite?
piperidin-1-yl dihydrogen phosphite has a molecular weight of 165.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl dihydrogen phosphite is sourced from PubChem (CID 19971324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).