4-(3-tert-butylpiperidin-1-yl)pyrimidine

C13H21N3 — CID 58394793

IUPAC4-(3-tert-butylpiperidin-1-yl)pyrimidine
SMILESCC(C)(C)C1CCCN(c2ccncn2)C1
InChIInChI=1S/C13H21N3/c1-13(2,3)11-5-4-8-16(9-11)12-6-7-14-10-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyLSFZIPHLXXKZBV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds1

About 4-(3-tert-butylpiperidin-1-yl)pyrimidine

4-(3-tert-butylpiperidin-1-yl)pyrimidine (PubChem CID 58394793) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(3-tert-butylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-tert-butylpiperidin-1-yl)pyrimidine
PubChem CID58394793
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(3-tert-butylpiperidin-1-yl)pyrimidine
SMILESCC(C)(C)C1CCCN(c2ccncn2)C1
InChIInChI=1S/C13H21N3/c1-13(2,3)11-5-4-8-16(9-11)12-6-7-14-10-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyLSFZIPHLXXKZBV-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(3-tert-butylpiperidin-1-yl)pyrimidine (CID 58394793) is 4-(3-tert-butylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3-tert-butylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(3-tert-butylpiperidin-1-yl)pyrimidine is CC(C)(C)C1CCCN(c2ccncn2)C1.
What is the InChIKey of 4-(3-tert-butylpiperidin-1-yl)pyrimidine?
The InChIKey is LSFZIPHLXXKZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)11-5-4-8-16(9-11)12-6-7-14-10-15-12/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(3-tert-butylpiperidin-1-yl)pyrimidine?
4-(3-tert-butylpiperidin-1-yl)pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 58394793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).