(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol

C18H21NO — CID 15065412

IUPAC(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C18H21NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18+/m1/s1
InChIKeyTXXSAALEFDAYHK-MSOLQXFVSA-N
MW267.37 g/mol
LogP3.56
Rot. Bonds4

About (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol

(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol (PubChem CID 15065412) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
PubChem CID15065412
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C18H21NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18+/m1/s1
InChIKeyTXXSAALEFDAYHK-MSOLQXFVSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1,2-diphenyl-2-piperidin-1-ylethanol
CID 23251237
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylethanol
CID 4019753
(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 156874696
(1R,2R)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol
CID 11830572
(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutan-1-ol
CID 23249780
(2R,3S)-2-methyl-1,3-diphenyl-3-pyrrolidin-1-ylpropan-1-one
CID 10637492
1-[(2R)-2-nitro-1-phenylpropyl]piperidine
CID 134884394
1,2-diphenylethane-1,2-diol
CID 159073808
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
CID 54602375

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
The IUPAC name of (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol (CID 15065412) is (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol is O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
The InChIKey is TXXSAALEFDAYHK-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17-18,20H,7-8,13-14H2/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol?
(1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol has a molecular weight of 267.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-diphenyl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 15065412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).