(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol

C19H22FNO — CID 67131561

IUPAC(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-14(22)18-12-21(11-15-5-3-2-4-6-15)13-19(18)16-7-9-17(20)10-8-16/h2-10,14,18-19,22H,11-13H2,1H3/t14-,18-,19-/m1/s1
InChIKeyAICDORFYMOHSSB-NIKGAXFTSA-N
MW299.39 g/mol
LogP3.42
Rot. Bonds4

About (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol

(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 67131561) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
PubChem CID67131561
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-14(22)18-12-21(11-15-5-3-2-4-6-15)13-19(18)16-7-9-17(20)10-8-16/h2-10,14,18-19,22H,11-13H2,1H3/t14-,18-,19-/m1/s1
InChIKeyAICDORFYMOHSSB-NIKGAXFTSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-benzyl-4-(1-hydroxyethyl)pyrrolidin-3-yl]benzonitrile
CID 66999687
(1R)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol;(1S)-1-[(3R,4R)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]ethanol
CID 162260997
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
[(3S,4S)-1-benzyl-3-(4-chlorophenyl)piperidin-4-yl]methanediol
CID 59438124
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 42863539
(3S,4R)-1-benzyl-3-(4-fluorophenyl)-4-nitropyrrolidine
CID 10447515
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
1-benzyl-3-nitro-4-(4-propan-2-ylphenyl)pyrrolidine
CID 134162705
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
2-benzyl-6-butyl-5-(4-fluorophenyl)-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one
CID 58017667

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol (CID 67131561) is (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol is C[C@@H](O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is AICDORFYMOHSSB-NIKGAXFTSA-N. The full InChI is InChI=1S/C19H22FNO/c1-14(22)18-12-21(11-15-5-3-2-4-6-15)13-19(18)16-7-9-17(20)10-8-16/h2-10,14,18-19,22H,11-13H2,1H3/t14-,18-,19-/m1/s1.
What are the key properties of (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol?
(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 299.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 67131561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).