(3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol

C14H20N2O — CID 173069535

IUPAC(3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C2NCC[C@@H]2c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c17-12-7-9-16(10-12)14-13(6-8-15-14)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10H2/t12-,13-,14?/m1/s1
InChIKeyYOHDJMBXQVFMRD-ZFXTZCCVSA-N
MW232.33 g/mol
LogP1.16
Rot. Bonds2

About (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol

(3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol (PubChem CID 173069535) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol
PubChem CID173069535
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C2NCC[C@@H]2c2ccccc2)C1
InChIInChI=1S/C14H20N2O/c17-12-7-9-16(10-12)14-13(6-8-15-14)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10H2/t12-,13-,14?/m1/s1
InChIKeyYOHDJMBXQVFMRD-ZFXTZCCVSA-N
XLogP1.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol (CID 173069535) is (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol is O[C@@H]1CCN(C2NCC[C@@H]2c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol?
The InChIKey is YOHDJMBXQVFMRD-ZFXTZCCVSA-N. The full InChI is InChI=1S/C14H20N2O/c17-12-7-9-16(10-12)14-13(6-8-15-14)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10H2/t12-,13-,14?/m1/s1.
What are the key properties of (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol?
(3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol has a molecular weight of 232.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-3-phenylpyrrolidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 173069535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).