5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine

C23H32F2N2OSi — CID 172754736

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine
SMILESCC(C)(C)[Si](OCC1CNCC(N)(C(F)F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32F2N2OSi/c1-22(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-16-18-14-23(26,21(24)25)17-27-15-18/h4-13,18,21,27H,14-17,26H2,1-3H3
InChIKeyKWBGOKAUKVRBHP-UHFFFAOYSA-N
MW418.60 g/mol
LogP3.14
Rot. Bonds6

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine (PubChem CID 172754736) has the molecular formula C23H32F2N2OSi and a molecular weight of 418.60 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine
PubChem CID172754736
Molecular FormulaC23H32F2N2OSi
Molecular Weight418.60 g/mol
Exact Mass418.23
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine
SMILESCC(C)(C)[Si](OCC1CNCC(N)(C(F)F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32F2N2OSi/c1-22(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-16-18-14-23(26,21(24)25)17-27-15-18/h4-13,18,21,27H,14-17,26H2,1-3H3
InChIKeyKWBGOKAUKVRBHP-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine (CID 172754736) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine is CC(C)(C)[Si](OCC1CNCC(N)(C(F)F)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine?
The InChIKey is KWBGOKAUKVRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N2OSi/c1-22(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-16-18-14-23(26,21(24)25)17-27-15-18/h4-13,18,21,27H,14-17,26H2,1-3H3.
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine?
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine has a molecular weight of 418.60 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(difluoromethyl)piperidin-3-amine is sourced from PubChem (CID 172754736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).