(2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one

C19H27FN2O2 — CID 129053831

IUPAC(2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one
SMILESCCN1C[C@H](C2CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18+/m0/s1
InChIKeyVXVDIHXKTGEARI-KBXCAEBGSA-N
MW334.43 g/mol
LogP2.67
Rot. Bonds4

About (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one

(2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one (PubChem CID 129053831) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one.

Molecular Properties

Compound Name(2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one
PubChem CID129053831
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name(2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one
SMILESCCN1C[C@H](C2CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18+/m0/s1
InChIKeyVXVDIHXKTGEARI-KBXCAEBGSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one?
The IUPAC name of (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one (CID 129053831) is (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one.
What is the SMILES notation for (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one?
The canonical SMILES for (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one is CCN1C[C@H](C2CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one?
The InChIKey is VXVDIHXKTGEARI-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-22-13-18(24-14(2)19(22)23)16-8-10-21(11-9-16)12-15-4-6-17(20)7-5-15/h4-7,14,16,18H,3,8-13H2,1-2H3/t14-,18+/m0/s1.
What are the key properties of (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one?
(2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one has a molecular weight of 334.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-ethyl-6-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylmorpholin-3-one is sourced from PubChem (CID 129053831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).