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

C22H29N3 — CID 102542992

IUPAC5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
SMILESCc1cc(N2CCCC2)ncc1C1CCCCN1Cc1ccccc1
InChIInChI=1S/C22H29N3/c1-18-15-22(24-12-7-8-13-24)23-16-20(18)21-11-5-6-14-25(21)17-19-9-3-2-4-10-19/h2-4,9-10,15-16,21H,5-8,11-14,17H2,1H3
InChIKeyJBWLFTHCNTYOLO-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.72
Rot. Bonds4

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

5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine (PubChem CID 102542992) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
PubChem CID102542992
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
SMILESCc1cc(N2CCCC2)ncc1C1CCCCN1Cc1ccccc1
InChIInChI=1S/C22H29N3/c1-18-15-22(24-12-7-8-13-24)23-16-20(18)21-11-5-6-14-25(21)17-19-9-3-2-4-10-19/h2-4,9-10,15-16,21H,5-8,11-14,17H2,1H3
InChIKeyJBWLFTHCNTYOLO-UHFFFAOYSA-N
XLogP4.72
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973
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-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102542994
5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
CID 102541519
benzyl 2-(4-methyl-6-piperidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102543168
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
CID 102542845
1-benzyl-2-(2,5-dimethoxyphenyl)piperidine
CID 102544473
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine (CID 102542992) is 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine is Cc1cc(N2CCCC2)ncc1C1CCCCN1Cc1ccccc1.
What is the InChIKey of 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
The InChIKey is JBWLFTHCNTYOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-18-15-22(24-12-7-8-13-24)23-16-20(18)21-11-5-6-14-25(21)17-19-9-3-2-4-10-19/h2-4,9-10,15-16,21H,5-8,11-14,17H2,1H3.
What are the key properties of 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine?
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine has a molecular weight of 335.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 102542992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).