3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol

C22H29NO — CID 102090886

IUPAC3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol
SMILESCC(C)[C@H]1N[C@@H](CCCO)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H29NO/c1-16(2)22-21(18-12-7-4-8-13-18)20(17-10-5-3-6-11-17)19(23-22)14-9-15-24/h3-8,10-13,16,19-24H,9,14-15H2,1-2H3/t19-,20+,21-,22+/m0/s1
InChIKeyJPKISPYZCFNDGR-LNRXMEIDSA-N
MW323.48 g/mol
LogP4.32
Rot. Bonds6

About 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol

3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol (PubChem CID 102090886) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol
PubChem CID102090886
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol
SMILESCC(C)[C@H]1N[C@@H](CCCO)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H29NO/c1-16(2)22-21(18-12-7-4-8-13-18)20(17-10-5-3-6-11-17)19(23-22)14-9-15-24/h3-8,10-13,16,19-24H,9,14-15H2,1-2H3/t19-,20+,21-,22+/m0/s1
InChIKeyJPKISPYZCFNDGR-LNRXMEIDSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol (CID 102090886) is 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol is CC(C)[C@H]1N[C@@H](CCCO)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is JPKISPYZCFNDGR-LNRXMEIDSA-N. The full InChI is InChI=1S/C22H29NO/c1-16(2)22-21(18-12-7-4-8-13-18)20(17-10-5-3-6-11-17)19(23-22)14-9-15-24/h3-8,10-13,16,19-24H,9,14-15H2,1-2H3/t19-,20+,21-,22+/m0/s1.
What are the key properties of 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 323.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4R,5R)-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 102090886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).