(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one

C15H31NO3Si — CID 102319341

IUPAC(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)C[C@@H]1CCCC(=O)N1
InChIInChI=1S/C15H31NO3Si/c1-15(2,3)20(4,5)19-10-9-13(17)11-12-7-6-8-14(18)16-12/h12-13,17H,6-11H2,1-5H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyDLVVWTYVTJAZIT-QWHCGFSZSA-N
MW301.50 g/mol
LogP2.82
Rot. Bonds6

About (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one

(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one (PubChem CID 102319341) has the molecular formula C15H31NO3Si and a molecular weight of 301.50 g/mol. Its IUPAC name is (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one
PubChem CID102319341
Molecular FormulaC15H31NO3Si
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)C[C@@H]1CCCC(=O)N1
InChIInChI=1S/C15H31NO3Si/c1-15(2,3)20(4,5)19-10-9-13(17)11-12-7-6-8-14(18)16-12/h12-13,17H,6-11H2,1-5H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyDLVVWTYVTJAZIT-QWHCGFSZSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-[(2S)-2,4-dihydroxybutyl]piperidin-2-one
CID 102319350
(Z,5R)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-ene-1,5-diol
CID 53255144
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
methyl (1S,2S)-2-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]-4-methylcyclohex-3-ene-1-carboxylate
CID 53475417
(5R)-5-[(2S)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-2-methylcyclopent-2-en-1-one
CID 10684338
3-[4-[tert-butyl(dimethyl)silyl]oxybut-1-en-2-yl]pyrrolidin-2-one
CID 89421667
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one?
The IUPAC name of (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one (CID 102319341) is (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one.
What is the SMILES notation for (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one?
The canonical SMILES for (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H](O)C[C@@H]1CCCC(=O)N1.
What is the InChIKey of (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one?
The InChIKey is DLVVWTYVTJAZIT-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H31NO3Si/c1-15(2,3)20(4,5)19-10-9-13(17)11-12-7-6-8-14(18)16-12/h12-13,17H,6-11H2,1-5H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one?
(6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one has a molecular weight of 301.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutyl]piperidin-2-one is sourced from PubChem (CID 102319341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).