1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

C26H59NO5Si3 — CID 66872681

IUPAC1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(CCCOCC(O)CN1CCC(CCO)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H59NO5Si3/c1-25(2,3)33(7,8)31-35(11,32-34(9,10)26(4,5)6)20-12-19-30-22-24(29)21-27-16-13-23(14-17-27)15-18-28/h23-24,28-29H,12-22H2,1-11H3
InChIKeyUGILMVPKUGEKHR-UHFFFAOYSA-N
MW550.02 g/mol
LogP5.96
Rot. Bonds14

About 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 66872681) has the molecular formula C26H59NO5Si3 and a molecular weight of 550.02 g/mol. Its IUPAC name is 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID66872681
Molecular FormulaC26H59NO5Si3
Molecular Weight550.02 g/mol
Exact Mass549.37
IUPAC Name1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[Si](C)(CCCOCC(O)CN1CCC(CCO)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H59NO5Si3/c1-25(2,3)33(7,8)31-35(11,32-34(9,10)26(4,5)6)20-12-19-30-22-24(29)21-27-16-13-23(14-17-27)15-18-28/h23-24,28-29H,12-22H2,1-11H3
InChIKeyUGILMVPKUGEKHR-UHFFFAOYSA-N
XLogP5.96
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.02
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-[4-[2-hydroxy-3-[3-[[[[hydroxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propyl]piperazin-1-yl]-3-(3-trimethylsilylpropoxy)propan-2-ol
CID 59944116
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 164730273
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
1-(2,6-dimethylmorpholin-4-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90015661
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
1-[4-[3-(diethylamino)propyl]piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75453728
1-(azocan-1-yl)-3-[4-[[4-(2-hydroxyethyl)piperidin-1-yl]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45203017
1-ethoxy-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63931587
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 66872681) is 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is CC(C)(C)[Si](C)(C)O[Si](C)(CCCOCC(O)CN1CCC(CCO)CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is UGILMVPKUGEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H59NO5Si3/c1-25(2,3)33(7,8)31-35(11,32-34(9,10)26(4,5)6)20-12-19-30-22-24(29)21-27-16-13-23(14-17-27)15-18-28/h23-24,28-29H,12-22H2,1-11H3.
What are the key properties of 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 550.02 g/mol, XLogP of 5.96, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis[[tert-butyl(dimethyl)silyl]oxy]-methylsilyl]propoxy]-3-[4-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 66872681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).