4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine

C16H25ClN2O — CID 107875644

IUPAC4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ccc(C(C)(C)C)cn2)CC(CCl)O1
InChIInChI=1S/C16H25ClN2O/c1-15(2,3)12-6-7-14(18-9-12)19-10-13(8-17)20-16(4,5)11-19/h6-7,9,13H,8,10-11H2,1-5H3
InChIKeyUCDQKOISLXEEEZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.60
Rot. Bonds2

About 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine

4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine (PubChem CID 107875644) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
PubChem CID107875644
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ccc(C(C)(C)C)cn2)CC(CCl)O1
InChIInChI=1S/C16H25ClN2O/c1-15(2,3)12-6-7-14(18-9-12)19-10-13(8-17)20-16(4,5)11-19/h6-7,9,13H,8,10-11H2,1-5H3
InChIKeyUCDQKOISLXEEEZ-UHFFFAOYSA-N
XLogP3.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780846
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
CID 114777262
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
CID 107875613
6-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 128977424
6-(chloromethyl)-2,2-dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 114780826
(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107875138
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine (CID 107875644) is 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine is CC1(C)CN(c2ccc(C(C)(C)C)cn2)CC(CCl)O1.
What is the InChIKey of 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine?
The InChIKey is UCDQKOISLXEEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-15(2,3)12-6-7-14(18-9-12)19-10-13(8-17)20-16(4,5)11-19/h6-7,9,13H,8,10-11H2,1-5H3.
What are the key properties of 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine?
4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine has a molecular weight of 296.84 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-pyridinyl)-6-(chloromethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 107875644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).