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

C14H21F3N2O — CID 114489906

IUPAC(3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C14H21F3N2O/c1-2-13(6-3-7-18-10-13)12(20)19-8-4-11(5-9-19)14(15,16)17/h4,18H,2-3,5-10H2,1H3
InChIKeyGPRUUWDTNDKJJL-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.49
Rot. Bonds2

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

(3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489906) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489906
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCNC1
InChIInChI=1S/C14H21F3N2O/c1-2-13(6-3-7-18-10-13)12(20)19-8-4-11(5-9-19)14(15,16)17/h4,18H,2-3,5-10H2,1H3
InChIKeyGPRUUWDTNDKJJL-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.49
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-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489906) is (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is CCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCNC1.
What is the InChIKey of (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is GPRUUWDTNDKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-13(6-3-7-18-10-13)12(20)19-8-4-11(5-9-19)14(15,16)17/h4,18H,2-3,5-10H2,1H3.
What are the key properties of (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).