(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol

C26H45NO2Si — CID 10550650

IUPAC(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1CC=C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)N1Cc1ccccc1
InChIInChI=1S/C26H45NO2Si/c1-8-26(28)25-16-12-15-24(27(25)19-23-13-10-9-11-14-23)17-18-29-30(20(2)3,21(4)5)22(6)7/h9-15,20-22,24-26,28H,8,16-19H2,1-7H3/t24-,25+,26+/m1/s1
InChIKeyJQLPBGRWDPGMSS-ZNZIZOMTSA-N
MW431.74 g/mol
LogP6.54
Rot. Bonds11

About (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol

(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol (PubChem CID 10550650) has the molecular formula C26H45NO2Si and a molecular weight of 431.74 g/mol. Its IUPAC name is (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol
PubChem CID10550650
Molecular FormulaC26H45NO2Si
Molecular Weight431.74 g/mol
Exact Mass431.32
IUPAC Name(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1CC=C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)N1Cc1ccccc1
InChIInChI=1S/C26H45NO2Si/c1-8-26(28)25-16-12-15-24(27(25)19-23-13-10-9-11-14-23)17-18-29-30(20(2)3,21(4)5)22(6)7/h9-15,20-22,24-26,28H,8,16-19H2,1-7H3/t24-,25+,26+/m1/s1
InChIKeyJQLPBGRWDPGMSS-ZNZIZOMTSA-N
XLogP6.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.74
LogP ≤ 56.54
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'}

Analyze (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[(2R,6R)-1-benzyl-6-propyl-3,6-dihydro-2H-pyridin-2-yl]methanol
CID 10800409
(2R,6R)-1-benzyl-2,6-bis(2-methylprop-2-enyl)-3,6-dihydro-2H-pyridine
CID 7707970
1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
CID 146513963
tri(propan-2-yl)silyl (2S,3R)-1-benzyl-3-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 10385570
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348
(2R,4Z,7R,8S)-7-[(4-methoxyphenyl)methoxy]-8-methyl-2-(phenylmethoxymethyl)-8-[2-tri(propan-2-yl)silyloxyethyl]-2,3,6,7-tetrahydrooxocin-3-ol
CID 11714130
(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one
CID 10881427
2-(2-phenoxyethoxy)ethoxy-tri(propan-2-yl)silane
CID 142630702
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
2-methylpropyl (2R)-1-benzyl-5-(3-ethylpentanoyl)pyrrolidine-2-carboxylate
CID 142059647
[(2R,3R)-1-benzyl-3-ethylaziridin-2-yl]methanol
CID 11435445

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol (CID 10550650) is (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol is CC[C@H](O)[C@@H]1CC=C[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)N1Cc1ccccc1.
What is the InChIKey of (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol?
The InChIKey is JQLPBGRWDPGMSS-ZNZIZOMTSA-N. The full InChI is InChI=1S/C26H45NO2Si/c1-8-26(28)25-16-12-15-24(27(25)19-23-13-10-9-11-14-23)17-18-29-30(20(2)3,21(4)5)22(6)7/h9-15,20-22,24-26,28H,8,16-19H2,1-7H3/t24-,25+,26+/m1/s1.
What are the key properties of (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol?
(1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol has a molecular weight of 431.74 g/mol, XLogP of 6.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,6S)-1-benzyl-6-[2-tri(propan-2-yl)silyloxyethyl]-3,6-dihydro-2H-pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 10550650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).