4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine

C19H25N3 — CID 166360323

IUPAC4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
SMILESCC(C)(C)c1ccc(C2CCN(c3ccncn3)CC2)cc1
InChIInChI=1S/C19H25N3/c1-19(2,3)17-6-4-15(5-7-17)16-9-12-22(13-10-16)18-8-11-20-14-21-18/h4-8,11,14,16H,9-10,12-13H2,1-3H3
InChIKeyUTIQRVZPXFGAJX-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.16
Rot. Bonds2

About 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine

4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine (PubChem CID 166360323) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
PubChem CID166360323
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine
SMILESCC(C)(C)c1ccc(C2CCN(c3ccncn3)CC2)cc1
InChIInChI=1S/C19H25N3/c1-19(2,3)17-6-4-15(5-7-17)16-9-12-22(13-10-16)18-8-11-20-14-21-18/h4-8,11,14,16H,9-10,12-13H2,1-3H3
InChIKeyUTIQRVZPXFGAJX-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine (CID 166360323) is 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine is CC(C)(C)c1ccc(C2CCN(c3ccncn3)CC2)cc1.
What is the InChIKey of 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine?
The InChIKey is UTIQRVZPXFGAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-19(2,3)17-6-4-15(5-7-17)16-9-12-22(13-10-16)18-8-11-20-14-21-18/h4-8,11,14,16H,9-10,12-13H2,1-3H3.
What are the key properties of 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine?
4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine has a molecular weight of 295.43 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 166360323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).