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

C14H23F3N2 — CID 114490248

IUPAC1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCCC2CCCNC2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13-5-9-19(10-6-13)8-2-4-12-3-1-7-18-11-12/h5,12,18H,1-4,6-11H2
InChIKeyRTWMLBSQWDYXSE-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.96
Rot. Bonds4

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

1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114490248) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114490248
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CCCC2CCCNC2)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)13-5-9-19(10-6-13)8-2-4-12-3-1-7-18-11-12/h5,12,18H,1-4,6-11H2
InChIKeyRTWMLBSQWDYXSE-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114490248) is 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CCCC2CCCNC2)CC1.
What is the InChIKey of 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is RTWMLBSQWDYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)13-5-9-19(10-6-13)8-2-4-12-3-1-7-18-11-12/h5,12,18H,1-4,6-11H2.
What are the key properties of 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 276.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114490248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).