[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol

C22H31NO2Si — CID 165162966

IUPAC[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C[C@H](CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C[C@H]1CO
InChIInChI=1S/C22H31NO2Si/c1-22(2,15-18-14-19(17-24)23(3)16-18)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,24-25H,14-17H2,1-3H3/t18-,19-/m0/s1
InChIKeyGZHPANCRUNASLW-OALUTQOASA-N
MW369.58 g/mol
LogP2.22
Rot. Bonds6

About [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol

[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol (PubChem CID 165162966) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol
PubChem CID165162966
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol
SMILESCN1C[C@H](CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C[C@H]1CO
InChIInChI=1S/C22H31NO2Si/c1-22(2,15-18-14-19(17-24)23(3)16-18)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,24-25H,14-17H2,1-3H3/t18-,19-/m0/s1
InChIKeyGZHPANCRUNASLW-OALUTQOASA-N
XLogP2.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.58
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol (CID 165162966) is [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol is CN1C[C@H](CC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is GZHPANCRUNASLW-OALUTQOASA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-22(2,15-18-14-19(17-24)23(3)16-18)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,18-19,24-25H,14-17H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 369.58 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 165162966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).