2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid

C12H26N2O4P2 — CID 21117370

IUPAC2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid
SMILESOP(OCCOP(O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H26N2O4P2/c15-19(13-7-3-1-4-8-13)17-11-12-18-20(16)14-9-5-2-6-10-14/h15-16H,1-12H2
InChIKeyGKOFDPAASUGVNR-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.43
Rot. Bonds7

About 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid

2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid (PubChem CID 21117370) has the molecular formula C12H26N2O4P2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid.

Molecular Properties

Compound Name2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid
PubChem CID21117370
Molecular FormulaC12H26N2O4P2
Molecular Weight324.30 g/mol
Exact Mass324.14
IUPAC Name2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid
SMILESOP(OCCOP(O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C12H26N2O4P2/c15-19(13-7-3-1-4-8-13)17-11-12-18-20(16)14-9-5-2-6-10-14/h15-16H,1-12H2
InChIKeyGKOFDPAASUGVNR-UHFFFAOYSA-N
XLogP2.43
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

chloro-methoxy-piperidin-1-ylphosphane
CID 86118240
methoxy(dipyrrolidin-1-yl)phosphane
CID 550752
dichloromethane;platinum(2+);bis(tripyrrolidin-1-ylphosphane);dichloride
CID 139183935
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-aminoethyl piperidine-1-carboxylate
CID 58684414
1-(2-methoxyethyl)azocane
CID 47014834
propyl azepane-1-carboxylate
CID 91585333
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
CID 173081952
CID 173081952
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
2-(4-piperidin-1-ylbenzoyl)oxyethanesulfonic acid
CID 129061932

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid?
The IUPAC name of 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid (CID 21117370) is 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid.
What is the SMILES notation for 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid?
The canonical SMILES for 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid is OP(OCCOP(O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid?
The InChIKey is GKOFDPAASUGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4P2/c15-19(13-7-3-1-4-8-13)17-11-12-18-20(16)14-9-5-2-6-10-14/h15-16H,1-12H2.
What are the key properties of 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid?
2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid has a molecular weight of 324.30 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(piperidin-1-yl)phosphanyl]oxyethoxy-piperidin-1-ylphosphinous acid is sourced from PubChem (CID 21117370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).