1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine

C16H24N2 — CID 62273352

IUPAC1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESc1ccc(CCN2CCCC2C2CCCN2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-14(7-3-1)10-13-18-12-5-9-16(18)15-8-4-11-17-15/h1-3,6-7,15-17H,4-5,8-13H2
InChIKeyIEHBHIGUTJWEAD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine

1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62273352) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62273352
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
SMILESc1ccc(CCN2CCCC2C2CCCN2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-14(7-3-1)10-13-18-12-5-9-16(18)15-8-4-11-17-15/h1-3,6-7,15-17H,4-5,8-13H2
InChIKeyIEHBHIGUTJWEAD-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 63262845
(2R)-1-benzyl-2-[(2R)-pyrrolidin-2-yl]piperidine
CID 124710332
(1S,7R)-2-benzyl-2,8-diazabicyclo[5.5.0]dodecane
CID 178143612
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
2-pyrrolidin-2-yl-1-(2-thiophen-2-ylethyl)piperidine
CID 63775718
(4aS,7aS)-6-(2-phenylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 104870048
1-(3-phenylprop-2-ynyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62339543
(4aS,8aR)-4-[2-(4-methoxyphenyl)ethyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675884
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
CID 62273055
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
1-(2,2-difluoro-2-phenylethyl)-2-pyrrolidin-2-ylpiperidine
CID 116790042
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine (CID 62273352) is 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine is c1ccc(CCN2CCCC2C2CCCN2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is IEHBHIGUTJWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-14(7-3-1)10-13-18-12-5-9-16(18)15-8-4-11-17-15/h1-3,6-7,15-17H,4-5,8-13H2.
What are the key properties of 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine?
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62273352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).