4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine

C12H17ClN2O — CID 62254126

IUPAC4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1cccc(CCl)n1
InChIInChI=1S/C12H17ClN2O/c1-12(2)9-16-7-6-15(12)11-5-3-4-10(8-13)14-11/h3-5H,6-9H2,1-2H3
InChIKeyHGBPGJQCTPKYEV-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.44
Rot. Bonds2

About 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine

4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine (PubChem CID 62254126) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine
PubChem CID62254126
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1c1cccc(CCl)n1
InChIInChI=1S/C12H17ClN2O/c1-12(2)9-16-7-6-15(12)11-5-3-4-10(8-13)14-11/h3-5H,6-9H2,1-2H3
InChIKeyHGBPGJQCTPKYEV-UHFFFAOYSA-N
XLogP2.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine (CID 62254126) is 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine is CC1(C)COCCN1c1cccc(CCl)n1.
What is the InChIKey of 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine?
The InChIKey is HGBPGJQCTPKYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2)9-16-7-6-15(12)11-5-3-4-10(8-13)14-11/h3-5H,6-9H2,1-2H3.
What are the key properties of 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine?
4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)-2-pyridinyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 62254126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).