benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate

C24H41NO3Si — CID 57338367

IUPACbenzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C24H41NO3Si/c1-19-16-20(2)25(23(26)27-18-21-12-9-8-10-13-21)22(17-19)14-11-15-28-29(6,7)24(3,4)5/h8-10,12-13,19-20,22H,11,14-18H2,1-7H3/t19-,20-,22+/m0/s1
InChIKeyJRVWFCSRXZRFAR-JAXLGGSGSA-N
MW419.68 g/mol
LogP6.61
Rot. Bonds7

About benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate

benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate (PubChem CID 57338367) has the molecular formula C24H41NO3Si and a molecular weight of 419.68 g/mol. Its IUPAC name is benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate
PubChem CID57338367
Molecular FormulaC24H41NO3Si
Molecular Weight419.68 g/mol
Exact Mass419.29
IUPAC Namebenzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)[C@@H](C)C1
InChIInChI=1S/C24H41NO3Si/c1-19-16-20(2)25(23(26)27-18-21-12-9-8-10-13-21)22(17-19)14-11-15-28-29(6,7)24(3,4)5/h8-10,12-13,19-20,22H,11,14-18H2,1-7H3/t19-,20-,22+/m0/s1
InChIKeyJRVWFCSRXZRFAR-JAXLGGSGSA-N
XLogP6.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.68
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate with MolForge

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Related Compounds

Mlv 3076
CID 128596
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-trans)-
CID 13713348
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 736490
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
Benzyl piperidine-1-carboxylate
CID 228749
Benzyl 4-isocyanatopiperidine-1-carboxylate
CID 2776273
Benzyl 4-methylpiperidine-1-carboxylate
CID 10752116
benzyl (3S)-3-methylpiperidine-1-carboxylate
CID 10847258
Benzyl 1-methyl-2-azaadamantane-2-carboxylate
CID 69478174
benzyl 4-[(1S)-1-fluoroprop-2-enyl]piperidine-1-carboxylate
CID 56647422

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate (CID 57338367) is benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate is C[C@@H]1C[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)[C@@H](C)C1.
What is the InChIKey of benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate?
The InChIKey is JRVWFCSRXZRFAR-JAXLGGSGSA-N. The full InChI is InChI=1S/C24H41NO3Si/c1-19-16-20(2)25(23(26)27-18-21-12-9-8-10-13-21)22(17-19)14-11-15-28-29(6,7)24(3,4)5/h8-10,12-13,19-20,22H,11,14-18H2,1-7H3/t19-,20-,22+/m0/s1.
What are the key properties of benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate?
benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate has a molecular weight of 419.68 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4S,6S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 57338367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).