2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol

C13H19NO2 — CID 129498083

IUPAC2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
SMILESOCCN1C[C@H](CO)[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H19NO2/c15-7-6-14-8-12(10-16)13(9-14)11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m1/s1
InChIKeyHPQIYYCQJAJIKK-CHWSQXEVSA-N
MW221.30 g/mol
LogP0.69
Rot. Bonds4

About 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol

2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol (PubChem CID 129498083) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
PubChem CID129498083
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol
SMILESOCCN1C[C@H](CO)[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H19NO2/c15-7-6-14-8-12(10-16)13(9-14)11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m1/s1
InChIKeyHPQIYYCQJAJIKK-CHWSQXEVSA-N
XLogP0.69
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
CID 70364830
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
(2R)-2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]propanoic acid
CID 20672324
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
4-(3-phenylazetidin-1-yl)butan-1-ol
CID 106844153
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 120760183
[(1S,2S)-2-[(1R,2S)-2-phenylcyclopropyl]cyclopropyl]methanol
CID 11137881
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
(3R,4R)-1-(2-methoxyethyl)-3,4-diphenylpyrrolidine
CID 101077579
(2S)-2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-phenylpropanoic acid
CID 20664100
2-[3-(ethylamino)-5-phenylpiperidin-1-yl]ethanol
CID 83990743

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol (CID 129498083) is 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol is OCCN1C[C@H](CO)[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol?
The InChIKey is HPQIYYCQJAJIKK-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO2/c15-7-6-14-8-12(10-16)13(9-14)11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m1/s1.
What are the key properties of 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol?
2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 129498083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).