[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone

C17H23FN2O2 — CID 95176295

IUPAC[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H23FN2O2/c18-15-6-4-14(5-7-15)13-20-8-2-1-3-16(20)17(21)19-9-11-22-12-10-19/h4-7,16H,1-3,8-13H2/t16-/m0/s1
InChIKeyAGLFYHLXENFGCP-INIZCTEOSA-N
MW306.38 g/mol
LogP2.04
Rot. Bonds3

About [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95176295) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID95176295
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H23FN2O2/c18-15-6-4-14(5-7-15)13-20-8-2-1-3-16(20)17(21)19-9-11-22-12-10-19/h4-7,16H,1-3,8-13H2/t16-/m0/s1
InChIKeyAGLFYHLXENFGCP-INIZCTEOSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2R)-1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778435
[4-(1-aminoethyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119518177
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(2,6-dichloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 71989099
[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612785
[(2S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 77096881
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanone
CID 119636461
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522970
[5-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840424
1-[1-[(4-fluorophenyl)methyl]piperidine-2-carbonyl]-2,3-dihydroindole-4-carboxylic acid
CID 138051548

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone (CID 95176295) is [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is AGLFYHLXENFGCP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-6-4-14(5-7-15)13-20-8-2-1-3-16(20)17(21)19-9-11-22-12-10-19/h4-7,16H,1-3,8-13H2/t16-/m0/s1.
What are the key properties of [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 306.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95176295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).