1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine

C18H27N — CID 130207875

IUPAC1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)c1ccc(C2=CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H27N/c1-14(2)15-6-8-16(9-7-15)17-10-12-19(13-11-17)18(3,4)5/h6-10,14H,11-13H2,1-5H3
InChIKeyNFQWCQNVDZYMCI-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.70
Rot. Bonds2

About 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine

1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 130207875) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine
PubChem CID130207875
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)c1ccc(C2=CCN(C(C)(C)C)CC2)cc1
InChIInChI=1S/C18H27N/c1-14(2)15-6-8-16(9-7-15)17-10-12-19(13-11-17)18(3,4)5/h6-10,14H,11-13H2,1-5H3
InChIKeyNFQWCQNVDZYMCI-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine (CID 130207875) is 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine is CC(C)c1ccc(C2=CCN(C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is NFQWCQNVDZYMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(2)15-6-8-16(9-7-15)17-10-12-19(13-11-17)18(3,4)5/h6-10,14H,11-13H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine?
1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 257.42 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130207875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).