1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine

C22H27FN2 — CID 42863539

IUPAC1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESFc1ccc(C2CN(Cc3ccccc3)CC2CN2CCCC2)cc1
InChIInChI=1S/C22H27FN2/c23-21-10-8-19(9-11-21)22-17-25(14-18-6-2-1-3-7-18)16-20(22)15-24-12-4-5-13-24/h1-3,6-11,20,22H,4-5,12-17H2
InChIKeyHWINBCXTPDNRSX-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.14
Rot. Bonds5

About 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine

1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 42863539) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID42863539
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESFc1ccc(C2CN(Cc3ccccc3)CC2CN2CCCC2)cc1
InChIInChI=1S/C22H27FN2/c23-21-10-8-19(9-11-21)22-17-25(14-18-6-2-1-3-7-18)16-20(22)15-24-12-4-5-13-24/h1-3,6-11,20,22H,4-5,12-17H2
InChIKeyHWINBCXTPDNRSX-UHFFFAOYSA-N
XLogP4.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3R)-1-benzyl-4-thiophen-3-ylpyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperidine
CID 142015423
3-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 70273689
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenylpiperidine
CID 22116082
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
2-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 70274207
(4-fluorophenyl)-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 42863664
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
(3S,4R)-1-benzyl-3-(4-fluorophenyl)-4-nitropyrrolidine
CID 10447515
(1R)-1-[(3R,4S)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 67131561
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 70272863
ethyl 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
CID 70200252

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 42863539) is 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine is Fc1ccc(C2CN(Cc3ccccc3)CC2CN2CCCC2)cc1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is HWINBCXTPDNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c23-21-10-8-19(9-11-21)22-17-25(14-18-6-2-1-3-7-18)16-20(22)15-24-12-4-5-13-24/h1-3,6-11,20,22H,4-5,12-17H2.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine?
1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 338.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 42863539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).