1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine

C22H34N4 — CID 86233327

IUPAC1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
SMILESc1c(N2CCCC2)c(N2CCCC2)cc(N2CCCC2)c1N1CCCC1
InChIInChI=1S/C22H34N4/c1-2-10-23(9-1)19-17-21(25-13-5-6-14-25)22(26-15-7-8-16-26)18-20(19)24-11-3-4-12-24/h17-18H,1-16H2
InChIKeyUZJZLNQMOZXYAM-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.09
Rot. Bonds4

About 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine

1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine (PubChem CID 86233327) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
PubChem CID86233327
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
SMILESc1c(N2CCCC2)c(N2CCCC2)cc(N2CCCC2)c1N1CCCC1
InChIInChI=1S/C22H34N4/c1-2-10-23(9-1)19-17-21(25-13-5-6-14-25)22(26-15-7-8-16-26)18-20(19)24-11-3-4-12-24/h17-18H,1-16H2
InChIKeyUZJZLNQMOZXYAM-UHFFFAOYSA-N
XLogP4.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
CID 68824080
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(2-chloro-5-pyrrolidin-1-ylphenyl)pyrrolidine
CID 23660792
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
2,5-dimethyl-4-pyrrolidin-1-ylaniline
CID 30029920
2,4-dimethyl-6-pyrrolidin-1-ylaniline
CID 91671740
4-bromo-2-pyrrolidin-1-ylphenol
CID 84703170
2,4-di(piperidin-1-yl)phenol
CID 130450866

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine?
The IUPAC name of 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine (CID 86233327) is 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine is c1c(N2CCCC2)c(N2CCCC2)cc(N2CCCC2)c1N1CCCC1.
What is the InChIKey of 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine?
The InChIKey is UZJZLNQMOZXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-2-10-23(9-1)19-17-21(25-13-5-6-14-25)22(26-15-7-8-16-26)18-20(19)24-11-3-4-12-24/h17-18H,1-16H2.
What are the key properties of 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine?
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine has a molecular weight of 354.54 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine is sourced from PubChem (CID 86233327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).