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

C14H23F3N2O — CID 114490197

IUPAC1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)12-4-9-19(10-5-12)8-1-11-20-13-2-6-18-7-3-13/h4,13,18H,1-3,5-11H2
InChIKeyKFWZMCAFSUBJDU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.34
Rot. Bonds5

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

1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490197) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490197
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCCOC2CCNCC2)CC1
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)12-4-9-19(10-5-12)8-1-11-20-13-2-6-18-7-3-13/h4,13,18H,1-3,5-11H2
InChIKeyKFWZMCAFSUBJDU-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 108122769
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-piperidin-4-yloxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489841
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]morpholine
CID 114489989
1-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490187
5-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 106314800
5-methyl-1-(2-piperidin-4-yloxyethyl)-3,6-dihydro-2H-pyridine
CID 106314933
1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 114410607
4-methyl-1-(2-piperidin-4-yloxyethyl)-3,6-dihydro-2H-pyridine
CID 114410697
4-methyl-1-(3-piperidin-4-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 114410822

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490197) is 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CCCOC2CCNCC2)CC1.
What is the InChIKey of 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KFWZMCAFSUBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c15-14(16,17)12-4-9-19(10-5-12)8-1-11-20-13-2-6-18-7-3-13/h4,13,18H,1-3,5-11H2.
What are the key properties of 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 292.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-yloxypropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).