formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol

C22H47NO3Sn — CID 142054431

IUPACformaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol
SMILESC=O.CCCC[Sn](CCCC)(CCCC)C1(O)CCN(OC(C)(C)C)CC1
InChIInChI=1S/C9H18NO2.3C4H9.CH2O.Sn/c1-9(2,3)12-10-6-4-8(11)5-7-10;3*1-3-4-2;1-2;/h11H,4-7H2,1-3H3;3*1,3-4H2,2H3;1H2;
InChIKeyLSPPLCYRKJUJJC-UHFFFAOYSA-N
MW492.33 g/mol
LogP5.75
Rot. Bonds11

About formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol

formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol (PubChem CID 142054431) has the molecular formula C22H47NO3Sn and a molecular weight of 492.33 g/mol. Its IUPAC name is formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol.

Molecular Properties

Compound Nameformaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol
PubChem CID142054431
Molecular FormulaC22H47NO3Sn
Molecular Weight492.33 g/mol
Exact Mass493.26
IUPAC Nameformaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol
SMILESC=O.CCCC[Sn](CCCC)(CCCC)C1(O)CCN(OC(C)(C)C)CC1
InChIInChI=1S/C9H18NO2.3C4H9.CH2O.Sn/c1-9(2,3)12-10-6-4-8(11)5-7-10;3*1-3-4-2;1-2;/h11H,4-7H2,1-3H3;3*1,3-4H2,2H3;1H2;
InChIKeyLSPPLCYRKJUJJC-UHFFFAOYSA-N
XLogP5.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tributyl-(1-fluorocyclopropyl)stannane
CID 178118319
tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate
CID 10972577
tert-butyl azetidine-1-carboxylate;tetrabutylazanium
CID 162104509
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440
tert-butyl (2S)-2-(2-tributylstannylethenyl)pyrrolidine-1-carboxylate
CID 154077880
tert-butyl 4-(heptylamino)-4-methylpiperidine-1-carboxylate
CID 107254416
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol?
The IUPAC name of formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol (CID 142054431) is formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol.
What is the SMILES notation for formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol?
The canonical SMILES for formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol is C=O.CCCC[Sn](CCCC)(CCCC)C1(O)CCN(OC(C)(C)C)CC1.
What is the InChIKey of formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol?
The InChIKey is LSPPLCYRKJUJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2.3C4H9.CH2O.Sn/c1-9(2,3)12-10-6-4-8(11)5-7-10;3*1-3-4-2;1-2;/h11H,4-7H2,1-3H3;3*1,3-4H2,2H3;1H2;.
What are the key properties of formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol?
formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol has a molecular weight of 492.33 g/mol, XLogP of 5.75, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-[(2-methylpropan-2-yl)oxy]-4-tributylstannylpiperidin-4-ol is sourced from PubChem (CID 142054431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).