(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine

C17H27FN4O — CID 124890056

IUPAC(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CCC2CCN(c3ncc(F)cn3)CC2)C[C@@H](C)O1
InChIInChI=1S/C17H27FN4O/c1-13-11-21(12-14(2)23-13)6-3-15-4-7-22(8-5-15)17-19-9-16(18)10-20-17/h9-10,13-15H,3-8,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyMHEUNQYJEXDNCF-ZIAGYGMSSA-N
MW322.43 g/mol
LogP2.33
Rot. Bonds4

About (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine

(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine (PubChem CID 124890056) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
PubChem CID124890056
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(CCC2CCN(c3ncc(F)cn3)CC2)C[C@@H](C)O1
InChIInChI=1S/C17H27FN4O/c1-13-11-21(12-14(2)23-13)6-3-15-4-7-22(8-5-15)17-19-9-16(18)10-20-17/h9-10,13-15H,3-8,11-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyMHEUNQYJEXDNCF-ZIAGYGMSSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 133338678
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
3-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 124515157
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
4-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133418852
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
1-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-6-fluorophenyl]ethanone
CID 133338554
2,6-dimethyl-4-[2-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]ethyl]morpholine
CID 133338587
4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338553
6-chloro-3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridazine-4-carboxamide
CID 133338594

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine (CID 124890056) is (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine is C[C@@H]1CN(CCC2CCN(c3ncc(F)cn3)CC2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The InChIKey is MHEUNQYJEXDNCF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-13-11-21(12-14(2)23-13)6-3-15-4-7-22(8-5-15)17-19-9-16(18)10-20-17/h9-10,13-15H,3-8,11-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine has a molecular weight of 322.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 124890056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).