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

C12H17ClN2O — CID 61257388

IUPAC4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc(CCl)c2)CC(C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(8-10(2)16-9)12-3-4-14-11(5-12)6-13/h3-5,9-10H,6-8H2,1-2H3
InChIKeyDVHKZSKSCJJUDM-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.43
Rot. Bonds2

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

4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 61257388) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
PubChem CID61257388
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccnc(CCl)c2)CC(C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(8-10(2)16-9)12-3-4-14-11(5-12)6-13/h3-5,9-10H,6-8H2,1-2H3
InChIKeyDVHKZSKSCJJUDM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine (CID 61257388) is 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine is CC1CN(c2ccnc(CCl)c2)CC(C)O1.
What is the InChIKey of 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine?
The InChIKey is DVHKZSKSCJJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-7-15(8-10(2)16-9)12-3-4-14-11(5-12)6-13/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine?
4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-4-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 61257388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).