4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine

C13H19ClN2O2 — CID 77085876

IUPAC4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine
SMILESCOCCC1CN(Cc2ccncc2Cl)CCO1
InChIInChI=1S/C13H19ClN2O2/c1-17-6-3-12-10-16(5-7-18-12)9-11-2-4-15-8-13(11)14/h2,4,8,12H,3,5-7,9-10H2,1H3
InChIKeyLZQJJFISMCUVHW-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.97
Rot. Bonds5

About 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine

4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine (PubChem CID 77085876) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine.

Molecular Properties

Compound Name4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine
PubChem CID77085876
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine
SMILESCOCCC1CN(Cc2ccncc2Cl)CCO1
InChIInChI=1S/C13H19ClN2O2/c1-17-6-3-12-10-16(5-7-18-12)9-11-2-4-15-8-13(11)14/h2,4,8,12H,3,5-7,9-10H2,1H3
InChIKeyLZQJJFISMCUVHW-UHFFFAOYSA-N
XLogP1.97
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-4-[(3-chloro-4-pyridinyl)methyl]morpholin-2-yl]ethyl]-3-methylbut-2-enamide
CID 95229780
4-(furan-3-ylmethyl)-2-(2-methoxyethyl)morpholine
CID 131934438
4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
CID 74247681
[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
CID 89443070
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine?
The IUPAC name of 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine (CID 77085876) is 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine.
What is the SMILES notation for 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine?
The canonical SMILES for 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine is COCCC1CN(Cc2ccncc2Cl)CCO1.
What is the InChIKey of 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine?
The InChIKey is LZQJJFISMCUVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-17-6-3-12-10-16(5-7-18-12)9-11-2-4-15-8-13(11)14/h2,4,8,12H,3,5-7,9-10H2,1H3.
What are the key properties of 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine?
4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine has a molecular weight of 270.76 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)morpholine is sourced from PubChem (CID 77085876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).