4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine

C12H19F3N2 — CID 79208238

IUPAC4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-3-5-17(6-4-10)8-9-1-2-11(16)7-9/h1-2,9-11H,3-8,16H2
InChIKeyZESNSLRVTXRHAA-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.16
Rot. Bonds2

About 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine

4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine (PubChem CID 79208238) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
PubChem CID79208238
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-3-5-17(6-4-10)8-9-1-2-11(16)7-9/h1-2,9-11H,3-8,16H2
InChIKeyZESNSLRVTXRHAA-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 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 ≤ 52.16
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 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine (CID 79208238) is 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine is NC1C=CC(CN2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
The InChIKey is ZESNSLRVTXRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c13-12(14,15)10-3-5-17(6-4-10)8-9-1-2-11(16)7-9/h1-2,9-11H,3-8,16H2.
What are the key properties of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine has a molecular weight of 248.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79208238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).