2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine

C11H17F3N2O — CID 114489989

IUPAC2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
SMILESFC(F)(F)C1=CCN(CC2CNCCO2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-4-16(5-2-9)8-10-7-15-3-6-17-10/h1,10,15H,2-8H2
InChIKeyBVDUYWSTQQOFHR-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.17
Rot. Bonds2

About 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine

2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine (PubChem CID 114489989) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
PubChem CID114489989
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
SMILESFC(F)(F)C1=CCN(CC2CNCCO2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-4-16(5-2-9)8-10-7-15-3-6-17-10/h1,10,15H,2-8H2
InChIKeyBVDUYWSTQQOFHR-UHFFFAOYSA-N
XLogP1.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 103152791
2-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115050
2-ethoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591606
2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 113591697
3-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]morpholine
CID 113591699
2-ethoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489675
1-piperazin-1-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 114489992
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114490130
1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490187
1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490197
2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
CID 114490204
2-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]morpholine
CID 130949222

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
The IUPAC name of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine (CID 114489989) is 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine is FC(F)(F)C1=CCN(CC2CNCCO2)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
The InChIKey is BVDUYWSTQQOFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9-1-4-16(5-2-9)8-10-7-15-3-6-17-10/h1,10,15H,2-8H2.
What are the key properties of 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine has a molecular weight of 250.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine is sourced from PubChem (CID 114489989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).