(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol

C28H49NO2Si — CID 177418832

IUPAC(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol
SMILESCCCC[Si](CCCC)(CCCC)O[C@H](C=C[C@H](O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C28H49NO2Si/c1-4-7-22-32(23-8-5-2,24-9-6-3)31-28(26-16-12-10-13-17-26)19-18-27(30)25-29-20-14-11-15-21-29/h10,12-13,16-19,27-28,30H,4-9,11,14-15,20-25H2,1-3H3/t27-,28+/m0/s1
InChIKeyGZVCUCXGSWLMDU-WUFINQPMSA-N
MW459.79 g/mol
LogP7.49
Rot. Bonds16

About (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol

(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol (PubChem CID 177418832) has the molecular formula C28H49NO2Si and a molecular weight of 459.79 g/mol. Its IUPAC name is (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol.

Molecular Properties

Compound Name(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol
PubChem CID177418832
Molecular FormulaC28H49NO2Si
Molecular Weight459.79 g/mol
Exact Mass459.35
IUPAC Name(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol
SMILESCCCC[Si](CCCC)(CCCC)O[C@H](C=C[C@H](O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C28H49NO2Si/c1-4-7-22-32(23-8-5-2,24-9-6-3)31-28(26-16-12-10-13-17-26)19-18-27(30)25-29-20-14-11-15-21-29/h10,12-13,16-19,27-28,30H,4-9,11,14-15,20-25H2,1-3H3/t27-,28+/m0/s1
InChIKeyGZVCUCXGSWLMDU-WUFINQPMSA-N
XLogP7.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.79
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol?
The IUPAC name of (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol (CID 177418832) is (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol.
What is the SMILES notation for (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol?
The canonical SMILES for (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol is CCCC[Si](CCCC)(CCCC)O[C@H](C=C[C@H](O)CN1CCCCC1)c1ccccc1.
What is the InChIKey of (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol?
The InChIKey is GZVCUCXGSWLMDU-WUFINQPMSA-N. The full InChI is InChI=1S/C28H49NO2Si/c1-4-7-22-32(23-8-5-2,24-9-6-3)31-28(26-16-12-10-13-17-26)19-18-27(30)25-29-20-14-11-15-21-29/h10,12-13,16-19,27-28,30H,4-9,11,14-15,20-25H2,1-3H3/t27-,28+/m0/s1.
What are the key properties of (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol?
(2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol has a molecular weight of 459.79 g/mol, XLogP of 7.49, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-phenyl-1-piperidin-1-yl-5-tributylsilyloxypent-3-en-2-ol is sourced from PubChem (CID 177418832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).