(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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Related Compounds

(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
octyl N-[(1R,2R)-1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 54510038
(E)-1-phenyl-4-(piperidin-1-ylmethyl)non-1-en-3-one;hydrobromide
CID 54604563
(1R,2S)-1-phenyl-2-(3-piperidin-1-ylpropylamino)hexan-1-ol
CID 24834662

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).