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

C25H35NO — CID 102090894

IUPAC5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol
SMILESCC(C)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](CCCCCO)N1C
InChIInChI=1S/C25H35NO/c1-19(2)25-24(21-15-9-5-10-16-21)23(20-13-7-4-8-14-20)22(26(25)3)17-11-6-12-18-27/h4-5,7-10,13-16,19,22-25,27H,6,11-12,17-18H2,1-3H3/t22-,23+,24-,25+/m0/s1
InChIKeyUFGALWXTCXXZQF-FQUZAXHOSA-N
MW365.56 g/mol
LogP5.45
Rot. Bonds8

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

5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol (PubChem CID 102090894) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol
PubChem CID102090894
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol
SMILESCC(C)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](CCCCCO)N1C
InChIInChI=1S/C25H35NO/c1-19(2)25-24(21-15-9-5-10-16-21)23(20-13-7-4-8-14-20)22(26(25)3)17-11-6-12-18-27/h4-5,7-10,13-16,19,22-25,27H,6,11-12,17-18H2,1-3H3/t22-,23+,24-,25+/m0/s1
InChIKeyUFGALWXTCXXZQF-FQUZAXHOSA-N
XLogP5.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol?
The IUPAC name of 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol (CID 102090894) is 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol.
What is the SMILES notation for 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol?
The canonical SMILES for 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol is CC(C)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](CCCCCO)N1C.
What is the InChIKey of 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol?
The InChIKey is UFGALWXTCXXZQF-FQUZAXHOSA-N. The full InChI is InChI=1S/C25H35NO/c1-19(2)25-24(21-15-9-5-10-16-21)23(20-13-7-4-8-14-20)22(26(25)3)17-11-6-12-18-27/h4-5,7-10,13-16,19,22-25,27H,6,11-12,17-18H2,1-3H3/t22-,23+,24-,25+/m0/s1.
What are the key properties of 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol?
5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol has a molecular weight of 365.56 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R,4R,5R)-1-methyl-3,4-diphenyl-5-propan-2-ylpyrrolidin-2-yl]pentan-1-ol is sourced from PubChem (CID 102090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).