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

C14H23F3N2 — CID 106976554

IUPAC1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCCC1(CN2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C14H23F3N2/c1-2-6-13(7-3-8-18-13)11-19-9-4-12(5-10-19)14(15,16)17/h4,18H,2-3,5-11H2,1H3
InChIKeyDUWFTBGPGLSWIV-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.10
Rot. Bonds4

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

1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 106976554) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID106976554
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESCCCC1(CN2CC=C(C(F)(F)F)CC2)CCCN1
InChIInChI=1S/C14H23F3N2/c1-2-6-13(7-3-8-18-13)11-19-9-4-12(5-10-19)14(15,16)17/h4,18H,2-3,5-11H2,1H3
InChIKeyDUWFTBGPGLSWIV-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.10
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

(1S,2S)-1-N-tert-butyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429382
(1R,2R)-2-N-tert-butyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134429404
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
CID 134438486
1-[(3-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 102776258
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
2-N-[2-(cyclopenten-1-yl)ethyl]-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 106173187
2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675
1-(3-pyrrolidin-3-ylpropyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591692
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentan-1-amine
CID 113591693
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591694
1-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114489982

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 106976554) is 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is CCCC1(CN2CC=C(C(F)(F)F)CC2)CCCN1.
What is the InChIKey of 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is DUWFTBGPGLSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-2-6-13(7-3-8-18-13)11-19-9-4-12(5-10-19)14(15,16)17/h4,18H,2-3,5-11H2,1H3.
What are the key properties of 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 276.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106976554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).