4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine

C17H27ClN2O — CID 102745239

IUPAC4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine
SMILESCCCc1cc(CCl)cc(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C17H27ClN2O/c1-6-7-14-8-13(10-18)9-15(19-14)20-11-16(2,3)21-17(4,5)12-20/h8-9H,6-7,10-12H2,1-5H3
InChIKeyBOQCHPQUIOLKFL-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.17
Rot. Bonds4

About 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine

4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine (PubChem CID 102745239) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine
PubChem CID102745239
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine
SMILESCCCc1cc(CCl)cc(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C17H27ClN2O/c1-6-7-14-8-13(10-18)9-15(19-14)20-11-16(2,3)21-17(4,5)12-20/h8-9H,6-7,10-12H2,1-5H3
InChIKeyBOQCHPQUIOLKFL-UHFFFAOYSA-N
XLogP4.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine (CID 102745239) is 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine is CCCc1cc(CCl)cc(N2CC(C)(C)OC(C)(C)C2)n1.
What is the InChIKey of 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine?
The InChIKey is BOQCHPQUIOLKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-6-7-14-8-13(10-18)9-15(19-14)20-11-16(2,3)21-17(4,5)12-20/h8-9H,6-7,10-12H2,1-5H3.
What are the key properties of 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine?
4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine has a molecular weight of 310.87 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).