2-(4-tert-butylphenyl)-4-cyclopentylpyridine

C20H25N — CID 140722906

IUPAC2-(4-tert-butylphenyl)-4-cyclopentylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C3CCCC3)ccn2)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)18-10-8-16(9-11-18)19-14-17(12-13-21-19)15-6-4-5-7-15/h8-15H,4-7H2,1-3H3
InChIKeyPTFVNKVBQPJVOR-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.70
Rot. Bonds2

About 2-(4-tert-butylphenyl)-4-cyclopentylpyridine

2-(4-tert-butylphenyl)-4-cyclopentylpyridine (PubChem CID 140722906) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-cyclopentylpyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-cyclopentylpyridine
PubChem CID140722906
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2-(4-tert-butylphenyl)-4-cyclopentylpyridine
SMILESCC(C)(C)c1ccc(-c2cc(C3CCCC3)ccn2)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)18-10-8-16(9-11-18)19-14-17(12-13-21-19)15-6-4-5-7-15/h8-15H,4-7H2,1-3H3
InChIKeyPTFVNKVBQPJVOR-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-cyclopentylpyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-4-cyclopentylpyridine (CID 140722906) is 2-(4-tert-butylphenyl)-4-cyclopentylpyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-cyclopentylpyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-cyclopentylpyridine is CC(C)(C)c1ccc(-c2cc(C3CCCC3)ccn2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-cyclopentylpyridine?
The InChIKey is PTFVNKVBQPJVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)18-10-8-16(9-11-18)19-14-17(12-13-21-19)15-6-4-5-7-15/h8-15H,4-7H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-cyclopentylpyridine?
2-(4-tert-butylphenyl)-4-cyclopentylpyridine has a molecular weight of 279.43 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-cyclopentylpyridine is sourced from PubChem (CID 140722906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).