1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine

C15H21NO — CID 118239176

IUPAC1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)Oc1cccc(C2=CCN(C)CC2)c1
InChIInChI=1S/C15H21NO/c1-12(2)17-15-6-4-5-14(11-15)13-7-9-16(3)10-8-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyYQLRZQGFVBNOJW-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds3

About 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 118239176) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
PubChem CID118239176
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)Oc1cccc(C2=CCN(C)CC2)c1
InChIInChI=1S/C15H21NO/c1-12(2)17-15-6-4-5-14(11-15)13-7-9-16(3)10-8-13/h4-7,11-12H,8-10H2,1-3H3
InChIKeyYQLRZQGFVBNOJW-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 176804453
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4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 114270095
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CID 107579616
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CID 53408346
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine (CID 118239176) is 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine is CC(C)Oc1cccc(C2=CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is YQLRZQGFVBNOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)17-15-6-4-5-14(11-15)13-7-9-16(3)10-8-13/h4-7,11-12H,8-10H2,1-3H3.
What are the key properties of 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118239176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).