1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine

C19H26N4O — CID 71976593

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-15-14-19(22-16(2)21-15)23-11-8-17(9-12-23)20-10-13-24-18-6-4-3-5-7-18/h3-7,14,17,20H,8-13H2,1-2H3
InChIKeyKROXNUQNIDJUCP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.73
Rot. Bonds6

About 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine (PubChem CID 71976593) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
PubChem CID71976593
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-15-14-19(22-16(2)21-15)23-11-8-17(9-12-23)20-10-13-24-18-6-4-3-5-7-18/h3-7,14,17,20H,8-13H2,1-2H3
InChIKeyKROXNUQNIDJUCP-UHFFFAOYSA-N
XLogP2.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine (CID 71976593) is 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine is Cc1cc(N2CCC(NCCOc3ccccc3)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The InChIKey is KROXNUQNIDJUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-14-19(22-16(2)21-15)23-11-8-17(9-12-23)20-10-13-24-18-6-4-3-5-7-18/h3-7,14,17,20H,8-13H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-(2-phenoxyethyl)piperidin-4-amine is sourced from PubChem (CID 71976593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).