3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine

C23H27N3 — CID 102541932

IUPAC3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ncccc1C1CCCCN1Cc1ccccc1
InChIInChI=1S/C23H27N3/c1-18-13-14-19(2)26(18)23-21(11-8-15-24-23)22-12-6-7-16-25(22)17-20-9-4-3-5-10-20/h3-5,8-11,13-15,22H,6-7,12,16-17H2,1-2H3
InChIKeyBJBKWCHCRNDHCF-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.22
Rot. Bonds4

About 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine

3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine (PubChem CID 102541932) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine.

Molecular Properties

Compound Name3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
PubChem CID102541932
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
SMILESCc1ccc(C)n1-c1ncccc1C1CCCCN1Cc1ccccc1
InChIInChI=1S/C23H27N3/c1-18-13-14-19(2)26(18)23-21(11-8-15-24-23)22-12-6-7-16-25(22)17-20-9-4-3-5-10-20/h3-5,8-11,13-15,22H,6-7,12,16-17H2,1-2H3
InChIKeyBJBKWCHCRNDHCF-UHFFFAOYSA-N
XLogP5.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
3-(1-benzylpiperidin-2-yl)-2-ethylsulfanylpyridine
CID 102542119
3-(1-benzylpiperidin-2-yl)-2-tert-butylsulfanylpyridine
CID 102542247
3-(1-benzylpyrrolidin-2-yl)-2-propan-2-ylsulfanylpyridine
CID 102542292
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542992
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973
3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
CID 102540253
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
4-[5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyridinyl]morpholine
CID 102543280

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The IUPAC name of 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine (CID 102541932) is 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine.
What is the SMILES notation for 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The canonical SMILES for 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine is Cc1ccc(C)n1-c1ncccc1C1CCCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
The InChIKey is BJBKWCHCRNDHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-18-13-14-19(2)26(18)23-21(11-8-15-24-23)22-12-6-7-16-25(22)17-20-9-4-3-5-10-20/h3-5,8-11,13-15,22H,6-7,12,16-17H2,1-2H3.
What are the key properties of 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine?
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine has a molecular weight of 345.49 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine is sourced from PubChem (CID 102541932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).