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

C11H17F3N2O — CID 114490130

IUPAC3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
SMILESFC(F)(F)C1=CCN(CC2COCCN2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-4-16(5-2-9)7-10-8-17-6-3-15-10/h1,10,15H,2-8H2
InChIKeyMXWUSZNKGFUCCW-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.17
Rot. Bonds2

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

3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine (PubChem CID 114490130) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
PubChem CID114490130
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
SMILESFC(F)(F)C1=CCN(CC2COCCN2)CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)9-1-4-16(5-2-9)7-10-8-17-6-3-15-10/h1,10,15H,2-8H2
InChIKeyMXWUSZNKGFUCCW-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

[4-[(4-Fluorocyclohexen-1-yl)methyl]morpholin-3-yl]methanamine
CID 163670928
(5R,6S)-2,2-difluoro-6-methyl-5-[[3-methyl-5-(trifluoromethyl)-2H-pyridin-1-yl]methyl]morpholine
CID 176181844
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]cyclopropanamine
CID 103227351
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 103227352
N-[3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227353
N-ethyl-3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227354
3-methoxy-N-propan-2-yl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227355
3-methoxy-N-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227356
3-methoxy-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227357
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
3-methoxy-N-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113790721

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
The IUPAC name of 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine (CID 114490130) is 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
The canonical SMILES for 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine is FC(F)(F)C1=CCN(CC2COCCN2)CC1.
What is the InChIKey of 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
The InChIKey is MXWUSZNKGFUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)9-1-4-16(5-2-9)7-10-8-17-6-3-15-10/h1,10,15H,2-8H2.
What are the key properties of 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine?
3-[[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 3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine is sourced from PubChem (CID 114490130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).