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

C14H23F3N2 — CID 106982021

IUPAC1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1(CN2CC=C(C(F)(F)F)CC2)CCNC1
InChIInChI=1S/C14H23F3N2/c1-11(2)13(5-6-18-9-13)10-19-7-3-12(4-8-19)14(15,16)17/h3,11,18H,4-10H2,1-2H3
InChIKeyDDGFLWOVTUXSRV-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.82
Rot. Bonds3

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

1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 106982021) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID106982021
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1(CN2CC=C(C(F)(F)F)CC2)CCNC1
InChIInChI=1S/C14H23F3N2/c1-11(2)13(5-6-18-9-13)10-19-7-3-12(4-8-19)14(15,16)17/h3,11,18H,4-10H2,1-2H3
InChIKeyDDGFLWOVTUXSRV-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-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-cyclohex-3-en-1-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine
CID 54927121
1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102776258
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 103276529
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113588400
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647
4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 113591679
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591681
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691
1-(3-pyrrolidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591692
1-[(4-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591695

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 106982021) is 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CC(C)C1(CN2CC=C(C(F)(F)F)CC2)CCNC1.
What is the InChIKey of 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is DDGFLWOVTUXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-11(2)13(5-6-18-9-13)10-19-7-3-12(4-8-19)14(15,16)17/h3,11,18H,4-10H2,1-2H3.
What are the key properties of 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 276.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106982021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).