1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol

C21H27NO2 — CID 139060777

IUPAC1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-20(2,23)16-22-15-9-14-19(22)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,23-24H,9,14-16H2,1-2H3/t19-/m0/s1
InChIKeyXJMRELPGSLWHSV-IBGZPJMESA-N
MW325.45 g/mol
LogP3.16
Rot. Bonds5

About 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol

1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol (PubChem CID 139060777) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
PubChem CID139060777
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-20(2,23)16-22-15-9-14-19(22)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,23-24H,9,14-16H2,1-2H3/t19-/m0/s1
InChIKeyXJMRELPGSLWHSV-IBGZPJMESA-N
XLogP3.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Tridihexethyl Chloride
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CID 4945

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol (CID 139060777) is 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is XJMRELPGSLWHSV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27NO2/c1-20(2,23)16-22-15-9-14-19(22)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,23-24H,9,14-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol?
1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 325.45 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 139060777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).