tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane

C19H32N2O3Si — CID 176705511

IUPACtert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H32N2O3Si/c1-19(2,3)25(4,5)24-15-12-16-10-13-20(14-11-16)17-6-8-18(9-7-17)21(22)23/h6-9,16H,10-15H2,1-5H3
InChIKeyJMXXZEHOSCZOIE-UHFFFAOYSA-N
MW364.56 g/mol
LogP5.22
Rot. Bonds6

About tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane (PubChem CID 176705511) has the molecular formula C19H32N2O3Si and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane
PubChem CID176705511
Molecular FormulaC19H32N2O3Si
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Nametert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H32N2O3Si/c1-19(2,3)25(4,5)24-15-12-16-10-13-20(14-11-16)17-6-8-18(9-7-17)21(22)23/h6-9,16H,10-15H2,1-5H3
InChIKeyJMXXZEHOSCZOIE-UHFFFAOYSA-N
XLogP5.22
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-4-propylazepane
CID 163444919
[2-methyl-4-[1-(4-nitrophenyl)piperidin-4-yl]butan-2-yl] carbamate
CID 150472340
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-nitrophenyl)pyrrolidin-2-one
CID 11268145
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
tert-butyl-dimethyl-[2-(4-nitrocyclohex-3-en-1-yl)ethoxy]silane
CID 175866159
[2-methyl-1-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-yl]carbamic acid
CID 175034758
ethane;2-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-ol
CID 145201437
N-methyl-4-nitro-N-[[1-(4-nitrophenyl)piperidin-4-yl]methyl]aniline
CID 144902442
1-(4-nitrophenyl)-4-[3-(triazol-1-yl)propyl]piperidine
CID 66584507
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
3-[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-1-yl]phenyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 176705819

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane (CID 176705511) is tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane is CC(C)(C)[Si](C)(C)OCCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane?
The InChIKey is JMXXZEHOSCZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3Si/c1-19(2,3)25(4,5)24-15-12-16-10-13-20(14-11-16)17-6-8-18(9-7-17)21(22)23/h6-9,16H,10-15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane has a molecular weight of 364.56 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[1-(4-nitrophenyl)piperidin-4-yl]ethoxy]silane is sourced from PubChem (CID 176705511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).