(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine

C12H17ClN2O — CID 103936707

IUPAC(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-6-15(7-10(2)16-9)8-11-3-4-14-12(13)5-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyVRYRBXWZQRSPNX-AOOOYVTPSA-N
MW240.73 g/mol
LogP2.34
Rot. Bonds2

About (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine (PubChem CID 103936707) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
PubChem CID103936707
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-6-15(7-10(2)16-9)8-11-3-4-14-12(13)5-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyVRYRBXWZQRSPNX-AOOOYVTPSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
4-[(2-chloro-4-pyridinyl)methyl]-2-methyl-1,4-oxazepane
CID 62988182
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
[4-[(2-chloro-4-pyridinyl)methyl]morpholin-2-yl]methanamine
CID 114394884
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine (CID 103936707) is (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2ccnc(Cl)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is VRYRBXWZQRSPNX-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-6-15(7-10(2)16-9)8-11-3-4-14-12(13)5-11/h3-5,9-10H,6-8H2,1-2H3/t9-,10+.
What are the key properties of (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 103936707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).