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

C15H23F3N2O — CID 114489839

IUPAC(3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C15H23F3N2O/c1-2-6-14(7-3-8-19-11-14)13(21)20-9-4-12(5-10-20)15(16,17)18/h4,19H,2-3,5-11H2,1H3
InChIKeyUMXUNLKAAJXGNO-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.88
Rot. Bonds3

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

(3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489839) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489839
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name(3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C15H23F3N2O/c1-2-6-14(7-3-8-19-11-14)13(21)20-9-4-12(5-10-20)15(16,17)18/h4,19H,2-3,5-11H2,1H3
InChIKeyUMXUNLKAAJXGNO-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.88
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 (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489839) is (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCNC1.
What is the InChIKey of (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is UMXUNLKAAJXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-6-14(7-3-8-19-11-14)13(21)20-9-4-12(5-10-20)15(16,17)18/h4,19H,2-3,5-11H2,1H3.
What are the key properties of (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 304.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).