1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C13H21F3N2O — CID 114490187

IUPAC1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCOC2CCNCC2)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)11-3-7-18(8-4-11)9-10-19-12-1-5-17-6-2-12/h3,12,17H,1-2,4-10H2
InChIKeyPDSHKVLFXCYROS-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490187) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490187
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCOC2CCNCC2)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)11-3-7-18(8-4-11)9-10-19-12-1-5-17-6-2-12/h3,12,17H,1-2,4-10H2
InChIKeyPDSHKVLFXCYROS-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.95
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-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
2-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114489787
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114489989
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114490130
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
4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine
CID 107489754

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490187) is 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CCOC2CCNCC2)CC1.
What is the InChIKey of 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PDSHKVLFXCYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)11-3-7-18(8-4-11)9-10-19-12-1-5-17-6-2-12/h3,12,17H,1-2,4-10H2.
What are the key properties of 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 278.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).