2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine

C11H15ClN2O — CID 81210247

IUPAC2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
SMILESClCC1CN(Cc2ccncc2)CCO1
InChIInChI=1S/C11H15ClN2O/c12-7-11-9-14(5-6-15-11)8-10-1-3-13-4-2-10/h1-4,11H,5-9H2
InChIKeyLZWBAYMZDIDZSB-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.52
Rot. Bonds3

About 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine

2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine (PubChem CID 81210247) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
PubChem CID81210247
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
SMILESClCC1CN(Cc2ccncc2)CCO1
InChIInChI=1S/C11H15ClN2O/c12-7-11-9-14(5-6-15-11)8-10-1-3-13-4-2-10/h1-4,11H,5-9H2
InChIKeyLZWBAYMZDIDZSB-UHFFFAOYSA-N
XLogP1.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.52
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-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
CID 174900344
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
N-methyl-1-[4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 80502656
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 112654434

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine (CID 81210247) is 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine is ClCC1CN(Cc2ccncc2)CCO1.
What is the InChIKey of 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine?
The InChIKey is LZWBAYMZDIDZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-7-11-9-14(5-6-15-11)8-10-1-3-13-4-2-10/h1-4,11H,5-9H2.
What are the key properties of 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine?
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine has a molecular weight of 226.71 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine is sourced from PubChem (CID 81210247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).