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

C13H19ClN2O — CID 105067410

IUPAC4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cnccc2CCl)CC(C)(C)O1
InChIInChI=1S/C13H19ClN2O/c1-10-8-16(9-13(2,3)17-10)12-7-15-5-4-11(12)6-14/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeyIGPOPBGSXKDICV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.82
Rot. Bonds2

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

4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine (PubChem CID 105067410) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine
PubChem CID105067410
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cnccc2CCl)CC(C)(C)O1
InChIInChI=1S/C13H19ClN2O/c1-10-8-16(9-13(2,3)17-10)12-7-15-5-4-11(12)6-14/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeyIGPOPBGSXKDICV-UHFFFAOYSA-N
XLogP2.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.82
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

4-[4-(chloromethyl)-3-pyridinyl]-2,2-dimethylmorpholine
CID 105067324
N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246226
4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine
CID 105067542
[3-(2,2,6-trimethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80508896
[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 107055393
4-[2-(chloromethyl)quinolin-4-yl]-2,2,6-trimethylmorpholine
CID 63375399
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
6-(chloromethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780846
4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
CID 105067424
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
[6-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methanamine
CID 66451628
2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 81166311

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine (CID 105067410) is 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine is CC1CN(c2cnccc2CCl)CC(C)(C)O1.
What is the InChIKey of 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine?
The InChIKey is IGPOPBGSXKDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-8-16(9-13(2,3)17-10)12-7-15-5-4-11(12)6-14/h4-5,7,10H,6,8-9H2,1-3H3.
What are the key properties of 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine?
4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine has a molecular weight of 254.76 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-3-pyridinyl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 105067410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).