(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol

C26H36N2O2 — CID 142207135

IUPAC(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol
SMILESO[C@H](C(Cc1ccccc1)N1CCCC1)[C@H](O)C(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C26H36N2O2/c29-25(23(27-15-7-8-16-27)19-21-11-3-1-4-12-21)26(30)24(28-17-9-10-18-28)20-22-13-5-2-6-14-22/h1-6,11-14,23-26,29-30H,7-10,15-20H2/t23?,24?,25-,26-/m1/s1
InChIKeyPGQWUYVGIKJAMT-CVQXOBEKSA-N
MW408.59 g/mol
LogP3.12
Rot. Bonds9

About (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol

(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol (PubChem CID 142207135) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol
PubChem CID142207135
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol
SMILESO[C@H](C(Cc1ccccc1)N1CCCC1)[C@H](O)C(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C26H36N2O2/c29-25(23(27-15-7-8-16-27)19-21-11-3-1-4-12-21)26(30)24(28-17-9-10-18-28)20-22-13-5-2-6-14-22/h1-6,11-14,23-26,29-30H,7-10,15-20H2/t23?,24?,25-,26-/m1/s1
InChIKeyPGQWUYVGIKJAMT-CVQXOBEKSA-N
XLogP3.12
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol with MolForge

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Related Compounds

2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
CID 70255948
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
[(2R,3S,4S,5R)-4-diphenylphosphanyloxy-1,6-diphenyl-2,5-di(piperidin-1-yl)hexan-3-yl]oxy-diphenylphosphane
CID 101080221
[1-(4-chlorophenyl)-3-phenyl-2-pyrrolidin-1-ylpropyl]-methylcarbamic acid
CID 57361755
(1R,2S)-1,3-diphenyl-2-piperidin-1-ylpropane-1-thiol;(1R,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanethiol;methane
CID 161192461
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
1-(1,4-diphenylbut-3-yn-2-yl)pyrrolidine
CID 100954727
1-(4-methylpiperazin-1-yl)-2-phenylethanol
CID 173220641

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol?
The IUPAC name of (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol (CID 142207135) is (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol.
What is the SMILES notation for (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol?
The canonical SMILES for (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol is O[C@H](C(Cc1ccccc1)N1CCCC1)[C@H](O)C(Cc1ccccc1)N1CCCC1.
What is the InChIKey of (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol?
The InChIKey is PGQWUYVGIKJAMT-CVQXOBEKSA-N. The full InChI is InChI=1S/C26H36N2O2/c29-25(23(27-15-7-8-16-27)19-21-11-3-1-4-12-21)26(30)24(28-17-9-10-18-28)20-22-13-5-2-6-14-22/h1-6,11-14,23-26,29-30H,7-10,15-20H2/t23?,24?,25-,26-/m1/s1.
What are the key properties of (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol?
(3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol has a molecular weight of 408.59 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,6-diphenyl-2,5-dipyrrolidin-1-ylhexane-3,4-diol is sourced from PubChem (CID 142207135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).