methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid

C13H26NO4P — CID 142458363

IUPACmethyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid
SMILESCC(OP(C)O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26NO4P/c1-10(18-19(5)16)11-6-8-14(9-7-11)12(15)17-13(2,3)4/h10-11,16H,6-9H2,1-5H3
InChIKeyNCKBASJHXCCJLJ-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.97
Rot. Bonds3

About methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid

methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid (PubChem CID 142458363) has the molecular formula C13H26NO4P and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid.

Molecular Properties

Compound Namemethyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid
PubChem CID142458363
Molecular FormulaC13H26NO4P
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Namemethyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid
SMILESCC(OP(C)O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26NO4P/c1-10(18-19(5)16)11-6-8-14(9-7-11)12(15)17-13(2,3)4/h10-11,16H,6-9H2,1-5H3
InChIKeyNCKBASJHXCCJLJ-UHFFFAOYSA-N
XLogP2.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-(1-methylsulfonyloxyethyl)piperidine-1-carboxylate
CID 23282886
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-(1-iodooxysulfanyloxyethyl)piperidine-1-carboxylate
CID 168903225
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate;2-methylpropane
CID 142509298
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186

Frequently Asked Questions

What is the IUPAC name of methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid?
The IUPAC name of methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid (CID 142458363) is methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid.
What is the SMILES notation for methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid?
The canonical SMILES for methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid is CC(OP(C)O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid?
The InChIKey is NCKBASJHXCCJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO4P/c1-10(18-19(5)16)11-6-8-14(9-7-11)12(15)17-13(2,3)4/h10-11,16H,6-9H2,1-5H3.
What are the key properties of methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid?
methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid has a molecular weight of 291.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phosphinous acid is sourced from PubChem (CID 142458363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).