(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one

C18H27ClFNO3Si — CID 123395681

IUPAC(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)N(Cc2ccc(F)cc2Cl)C1O
InChIInChI=1S/C18H27ClFNO3Si/c1-18(2,3)25(4,5)24-15-8-9-16(22)21(17(15)23)11-12-6-7-13(20)10-14(12)19/h6-7,10,15,17,23H,8-9,11H2,1-5H3/t15-,17?/m1/s1
InChIKeyIMJIDWDQRIVLNZ-LDCVWXEPSA-N
MW387.96 g/mol
LogP4.31
Rot. Bonds4

About (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one

(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one (PubChem CID 123395681) has the molecular formula C18H27ClFNO3Si and a molecular weight of 387.96 g/mol. Its IUPAC name is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
PubChem CID123395681
Molecular FormulaC18H27ClFNO3Si
Molecular Weight387.96 g/mol
Exact Mass387.14
IUPAC Name(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)N(Cc2ccc(F)cc2Cl)C1O
InChIInChI=1S/C18H27ClFNO3Si/c1-18(2,3)25(4,5)24-15-8-9-16(22)21(17(15)23)11-12-6-7-13(20)10-14(12)19/h6-7,10,15,17,23H,8-9,11H2,1-5H3/t15-,17?/m1/s1
InChIKeyIMJIDWDQRIVLNZ-LDCVWXEPSA-N
XLogP4.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
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 (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
The IUPAC name of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one (CID 123395681) is (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one.
What is the SMILES notation for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
The canonical SMILES for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)N(Cc2ccc(F)cc2Cl)C1O.
What is the InChIKey of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
The InChIKey is IMJIDWDQRIVLNZ-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H27ClFNO3Si/c1-18(2,3)25(4,5)24-15-8-9-16(22)21(17(15)23)11-12-6-7-13(20)10-14(12)19/h6-7,10,15,17,23H,8-9,11H2,1-5H3/t15-,17?/m1/s1.
What are the key properties of (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one?
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one has a molecular weight of 387.96 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2-chloro-4-fluorophenyl)methyl]-6-hydroxypiperidin-2-one is sourced from PubChem (CID 123395681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).