4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine

C17H23F3N2O — CID 99930489

IUPAC4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine
SMILESFc1ccc(CN2CCCC[C@H]2CN2CCOCC2)c(F)c1F
InChIInChI=1S/C17H23F3N2O/c18-15-5-4-13(16(19)17(15)20)11-22-6-2-1-3-14(22)12-21-7-9-23-10-8-21/h4-5,14H,1-3,6-12H2/t14-/m0/s1
InChIKeyIVUMFVIRKPDJDF-AWEZNQCLSA-N
MW328.38 g/mol
LogP2.79
Rot. Bonds4

About 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine

4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine (PubChem CID 99930489) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine
PubChem CID99930489
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine
SMILESFc1ccc(CN2CCCC[C@H]2CN2CCOCC2)c(F)c1F
InChIInChI=1S/C17H23F3N2O/c18-15-5-4-13(16(19)17(15)20)11-22-6-2-1-3-14(22)12-21-7-9-23-10-8-21/h4-5,14H,1-3,6-12H2/t14-/m0/s1
InChIKeyIVUMFVIRKPDJDF-AWEZNQCLSA-N
XLogP2.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]ethyl]morpholine
CID 56895170
4-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 46967160
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
5-[2-(morpholin-4-ylmethyl)piperidin-1-yl]pentan-1-ol
CID 111489845
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
2-(2-bromoethyl)-1-[(2,3-difluorophenyl)methyl]piperidine
CID 80671783
2-[4-[[2-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77098358
4-[[1-(imidazo[1,2-a]pyrazin-3-ylmethyl)piperidin-2-yl]methyl]morpholine
CID 154751583
4-[[(2R)-1-(4,4-dimethylpentyl)piperidin-2-yl]methyl]morpholine
CID 100637336
4-[[1-[(6-methylquinolin-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 77083947
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine (CID 99930489) is 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine is Fc1ccc(CN2CCCC[C@H]2CN2CCOCC2)c(F)c1F.
What is the InChIKey of 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is IVUMFVIRKPDJDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23F3N2O/c18-15-5-4-13(16(19)17(15)20)11-22-6-2-1-3-14(22)12-21-7-9-23-10-8-21/h4-5,14H,1-3,6-12H2/t14-/m0/s1.
What are the key properties of 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine?
4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 328.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-[(2,3,4-trifluorophenyl)methyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 99930489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).