[(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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Related Compounds

CID 11211674
CID 11211674
CID 10023254
CID 10023254
CID 11254918
CID 11254918
CID 134864911
CID 134864911
CID 176489971
CID 176489971
CID 177848553
CID 177848553
CID 178343425
CID 178343425
CID 10359606
CID 10359606
CID 19914911
CID 19914911
CID 57755405
CID 57755405
CID 57817448
CID 57817448
CID 57817457
CID 57817457

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).