1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C12H19F3N2 — CID 102776258

IUPAC1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1CCNC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c1-9-2-5-16-11(9)8-17-6-3-10(4-7-17)12(13,14)15/h3,9,11,16H,2,4-8H2,1H3
InChIKeyMRQLCUSONAONRV-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.18
Rot. Bonds2

About 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 102776258) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID102776258
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC1CCNC1CN1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2/c1-9-2-5-16-11(9)8-17-6-3-10(4-7-17)12(13,14)15/h3,9,11,16H,2,4-8H2,1H3
InChIKeyMRQLCUSONAONRV-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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Related Compounds

1-Fluoro-3-[4-(3-fluoro-3-methylpyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316503
2-Methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135451
6,7-dimethyl-3-[(E)-7,7,7-trifluoro-6-methylhept-5-en-3-yl]-2,3,4,5-tetrahydro-1H-1,4-diazepine
CID 147795061
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-N,4-dimethylpent-3-en-1-amine
CID 172334446
(E)-N-methyl-N-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]pent-3-en-1-amine
CID 172335441
(E)-N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335624
1-[[(2R)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102819687
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102819688
1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106976554
1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106982021
2-ethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591687
1-[(4-methylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591688

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 102776258) is 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CC1CCNC1CN1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MRQLCUSONAONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-9-2-5-16-11(9)8-17-6-3-10(4-7-17)12(13,14)15/h3,9,11,16H,2,4-8H2,1H3.
What are the key properties of 1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(3-methylpyrrolidin-2-yl)methyl]-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-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102776258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).