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

C12H19F3N2 — CID 114489985

IUPAC1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)11-3-7-17(8-4-11)9-10-1-5-16-6-2-10/h3,10,16H,1-2,4-9H2
InChIKeyKNFLNGHZLXKIOV-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.18
Rot. Bonds2

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

1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114489985) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114489985
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CC2CCNCC2)CC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)11-3-7-17(8-4-11)9-10-1-5-16-6-2-10/h3,10,16H,1-2,4-9H2
InChIKeyKNFLNGHZLXKIOV-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.18
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-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114489985) is 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KNFLNGHZLXKIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c13-12(14,15)11-3-7-17(8-4-11)9-10-1-5-16-6-2-10/h3,10,16H,1-2,4-9H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 248.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114489985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).