5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine

C21H27N3 — CID 102542973

IUPAC5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
SMILESCc1cc(N2CCCC2)ncc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C21H27N3/c1-17-14-21(23-11-5-6-12-23)22-15-19(17)20-10-7-13-24(20)16-18-8-3-2-4-9-18/h2-4,8-9,14-15,20H,5-7,10-13,16H2,1H3
InChIKeyRIWYUERLBIOFKN-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.33
Rot. Bonds4

About 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine

5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine (PubChem CID 102542973) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
PubChem CID102542973
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
SMILESCc1cc(N2CCCC2)ncc1C1CCCN1Cc1ccccc1
InChIInChI=1S/C21H27N3/c1-17-14-21(23-11-5-6-12-23)22-15-19(17)20-10-7-13-24(20)16-18-8-3-2-4-9-18/h2-4,8-9,14-15,20H,5-7,10-13,16H2,1H3
InChIKeyRIWYUERLBIOFKN-UHFFFAOYSA-N
XLogP4.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
4-[5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyridinyl]morpholine
CID 102543280
5-(1-ethylpiperidin-2-yl)-4-methyl-2-piperidin-1-ylpyridine
CID 102543179
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168
benzyl 2-(4-methyl-6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
CID 102541519
5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
CID 102542845
4-methyl-5-(1-propan-2-ylpiperidin-2-yl)-2-pyrrolidin-1-ylpyridine
CID 102542989
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine (CID 102542973) is 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine is Cc1cc(N2CCCC2)ncc1C1CCCN1Cc1ccccc1.
What is the InChIKey of 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
The InChIKey is RIWYUERLBIOFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-17-14-21(23-11-5-6-12-23)22-15-19(17)20-10-7-13-24(20)16-18-8-3-2-4-9-18/h2-4,8-9,14-15,20H,5-7,10-13,16H2,1H3.
What are the key properties of 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine has a molecular weight of 321.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 102542973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).