6-hexylidene-2-piperidin-1-yl-1H-pyrimidine

C15H25N3 — CID 67612757

IUPAC6-hexylidene-2-piperidin-1-yl-1H-pyrimidine
SMILESCCCCCC=C1C=CN=C(N2CCCCC2)N1
InChIInChI=1S/C15H25N3/c1-2-3-4-6-9-14-10-11-16-15(17-14)18-12-7-5-8-13-18/h9-11H,2-8,12-13H2,1H3,(H,16,17)
InChIKeyZNUXEWZGCYJUQO-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.41
Rot. Bonds4

About 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine

6-hexylidene-2-piperidin-1-yl-1H-pyrimidine (PubChem CID 67612757) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine.

Molecular Properties

Compound Name6-hexylidene-2-piperidin-1-yl-1H-pyrimidine
PubChem CID67612757
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name6-hexylidene-2-piperidin-1-yl-1H-pyrimidine
SMILESCCCCCC=C1C=CN=C(N2CCCCC2)N1
InChIInChI=1S/C15H25N3/c1-2-3-4-6-9-14-10-11-16-15(17-14)18-12-7-5-8-13-18/h9-11H,2-8,12-13H2,1H3,(H,16,17)
InChIKeyZNUXEWZGCYJUQO-UHFFFAOYSA-N
XLogP3.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine?
The IUPAC name of 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine (CID 67612757) is 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine.
What is the SMILES notation for 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine?
The canonical SMILES for 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine is CCCCCC=C1C=CN=C(N2CCCCC2)N1.
What is the InChIKey of 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine?
The InChIKey is ZNUXEWZGCYJUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-4-6-9-14-10-11-16-15(17-14)18-12-7-5-8-13-18/h9-11H,2-8,12-13H2,1H3,(H,16,17).
What are the key properties of 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine?
6-hexylidene-2-piperidin-1-yl-1H-pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexylidene-2-piperidin-1-yl-1H-pyrimidine is sourced from PubChem (CID 67612757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).