5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine

C16H17NO2 — CID 144787170

IUPAC5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine
SMILESCc1cc(C(C)C)ncc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H17NO2/c1-10(2)14-6-11(3)13(8-17-14)12-4-5-15-16(7-12)19-9-18-15/h4-8,10H,9H2,1-3H3
InChIKeyTUKSKAUNPCEBEL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.91
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine

5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine (PubChem CID 144787170) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine
PubChem CID144787170
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine
SMILESCc1cc(C(C)C)ncc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C16H17NO2/c1-10(2)14-6-11(3)13(8-17-14)12-4-5-15-16(7-12)19-9-18-15/h4-8,10H,9H2,1-3H3
InChIKeyTUKSKAUNPCEBEL-UHFFFAOYSA-N
XLogP3.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzodioxol-5-yl)-5-propan-2-ylpyrimidine
CID 146252856
4-(1,3-benzodioxol-5-yl)-3-methylphenol
CID 54078563
5-(1,3-benzodioxol-5-yl)-N-propan-2-ylpyrimidin-2-amine
CID 116977203
2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine
CID 83918218
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
5-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-1,2,4-triazole
CID 1351805
1-[5-(1,3-benzodioxol-5-yl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651339
2-(1,3-benzodioxol-5-yl)benzenediazonium
CID 134879950
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[4-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]ethanone
CID 58347190
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine (CID 144787170) is 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine is Cc1cc(C(C)C)ncc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine?
The InChIKey is TUKSKAUNPCEBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10(2)14-6-11(3)13(8-17-14)12-4-5-15-16(7-12)19-9-18-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine?
5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine has a molecular weight of 255.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 144787170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).