(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine

C16H20F4N2O — CID 95551496

IUPAC(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESFc1ccccc1N1CCC(N2CCO[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C16H20F4N2O/c17-13-3-1-2-4-14(13)21-7-5-12(6-8-21)22-9-10-23-15(11-22)16(18,19)20/h1-4,12,15H,5-11H2/t15-/m0/s1
InChIKeyGMRKQPQTMSCPKX-HNNXBMFYSA-N
MW332.34 g/mol
LogP3.06
Rot. Bonds2

About (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine

(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine (PubChem CID 95551496) has the molecular formula C16H20F4N2O and a molecular weight of 332.34 g/mol. Its IUPAC name is (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
PubChem CID95551496
Molecular FormulaC16H20F4N2O
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC Name(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine
SMILESFc1ccccc1N1CCC(N2CCO[C@H](C(F)(F)F)C2)CC1
InChIInChI=1S/C16H20F4N2O/c17-13-3-1-2-4-14(13)21-7-5-12(6-8-21)22-9-10-23-15(11-22)16(18,19)20/h1-4,12,15H,5-11H2/t15-/m0/s1
InChIKeyGMRKQPQTMSCPKX-HNNXBMFYSA-N
XLogP3.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 2846614
(4S,9aR)-8-[1-(2-fluorophenyl)piperidin-4-yl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155915477
N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45234316
2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
CID 84596072
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168190
4-cyclohexyl-2-(1,1-difluoroethyl)morpholine
CID 121262419
9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
CID 45208503
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312
N-cyclohexyl-1-(2-fluorophenyl)piperidin-4-amine
CID 66872138

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine (CID 95551496) is (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine is Fc1ccccc1N1CCC(N2CCO[C@H](C(F)(F)F)C2)CC1.
What is the InChIKey of (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
The InChIKey is GMRKQPQTMSCPKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20F4N2O/c17-13-3-1-2-4-14(13)21-7-5-12(6-8-21)22-9-10-23-15(11-22)16(18,19)20/h1-4,12,15H,5-11H2/t15-/m0/s1.
What are the key properties of (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine?
(2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine has a molecular weight of 332.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[1-(2-fluorophenyl)piperidin-4-yl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95551496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).