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

C11H17F3N2 — CID 114489982

IUPAC1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CC2CCCN2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-10-2-1-5-15-10/h3,10,15H,1-2,4-8H2
InChIKeyQERDXHGUUQFVLP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.93
Rot. Bonds2

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

1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114489982) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114489982
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(CC2CCCN2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-10-2-1-5-15-10/h3,10,15H,1-2,4-8H2
InChIKeyQERDXHGUUQFVLP-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490142
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
1-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 164916943
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384
1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
2-(3,6-dihydro-2H-pyridin-1-ylmethyl)azepane
CID 114410507

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114489982) is 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(CC2CCCN2)CC1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is QERDXHGUUQFVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)9-3-6-16(7-4-9)8-10-2-1-5-15-10/h3,10,15H,1-2,4-8H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 234.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114489982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).