4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline

C18H29F3N2OSi — CID 90135394

IUPAC4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline
SMILESCC(C)[Si](C)(C)OC1CCCN(Cc2ccc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C18H29F3N2OSi/c1-13(2)25(3,4)24-16-6-5-9-23(12-16)11-14-7-8-15(22)10-17(14)18(19,20)21/h7-8,10,13,16H,5-6,9,11-12,22H2,1-4H3
InChIKeyBNRPYEIVJGVJCO-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.88
Rot. Bonds5

About 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline

4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline (PubChem CID 90135394) has the molecular formula C18H29F3N2OSi and a molecular weight of 374.52 g/mol. Its IUPAC name is 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline
PubChem CID90135394
Molecular FormulaC18H29F3N2OSi
Molecular Weight374.52 g/mol
Exact Mass374.20
IUPAC Name4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline
SMILESCC(C)[Si](C)(C)OC1CCCN(Cc2ccc(N)cc2C(F)(F)F)C1
InChIInChI=1S/C18H29F3N2OSi/c1-13(2)25(3,4)24-16-6-5-9-23(12-16)11-14-7-8-15(22)10-17(14)18(19,20)21/h7-8,10,13,16H,5-6,9,11-12,22H2,1-4H3
InChIKeyBNRPYEIVJGVJCO-UHFFFAOYSA-N
XLogP4.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline (CID 90135394) is 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline is CC(C)[Si](C)(C)OC1CCCN(Cc2ccc(N)cc2C(F)(F)F)C1.
What is the InChIKey of 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline?
The InChIKey is BNRPYEIVJGVJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3N2OSi/c1-13(2)25(3,4)24-16-6-5-9-23(12-16)11-14-7-8-15(22)10-17(14)18(19,20)21/h7-8,10,13,16H,5-6,9,11-12,22H2,1-4H3.
What are the key properties of 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline?
4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline has a molecular weight of 374.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[dimethyl(propan-2-yl)silyl]oxypiperidin-1-yl]methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 90135394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).