4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine

C20H25NO — CID 46830868

IUPAC4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine
SMILESCC(C)(C)c1ccc(-c2ccncc2OC2CCCC2)cc1
InChIInChI=1S/C20H25NO/c1-20(2,3)16-10-8-15(9-11-16)18-12-13-21-14-19(18)22-17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3
InChIKeyBXHNJOIYUUQPTQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.37
Rot. Bonds3

About 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine

4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine (PubChem CID 46830868) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine
PubChem CID46830868
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine
SMILESCC(C)(C)c1ccc(-c2ccncc2OC2CCCC2)cc1
InChIInChI=1S/C20H25NO/c1-20(2,3)16-10-8-15(9-11-16)18-12-13-21-14-19(18)22-17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3
InChIKeyBXHNJOIYUUQPTQ-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyloxy-4-fluoropyridine
CID 130057810
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
3-cyclopropyloxy-4-prop-1-en-2-ylpyridine
CID 123922640
5-cyclopentyloxyisoquinolin-8-amine
CID 43448847
4-tert-butyl-2-cyclohexyloxybenzonitrile
CID 58873423
5-cyclohexyloxyisoquinolin-8-amine
CID 43382765
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
3-cycloheptyloxypyridine
CID 112558615
4-(2-cyclopropyloxyphenyl)-N-methylpyridin-3-amine
CID 70663294
3-(oxan-4-yloxy)pyridin-4-amine
CID 126982739
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine (CID 46830868) is 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine is CC(C)(C)c1ccc(-c2ccncc2OC2CCCC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine?
The InChIKey is BXHNJOIYUUQPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-20(2,3)16-10-8-15(9-11-16)18-12-13-21-14-19(18)22-17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine?
4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine has a molecular weight of 295.43 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-cyclopentyloxypyridine is sourced from PubChem (CID 46830868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).