1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine

C13H22BrF3N2 — CID 65002905

IUPAC1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C13H22BrF3N2/c14-9-12(3-1-2-4-12)10-18-5-7-19(8-6-18)11-13(15,16)17/h1-11H2
InChIKeyHTMJZAYVTNGLDY-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.12
Rot. Bonds4

About 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 65002905) has the molecular formula C13H22BrF3N2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID65002905
Molecular FormulaC13H22BrF3N2
Molecular Weight343.23 g/mol
Exact Mass342.09
IUPAC Name1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(CC2(CBr)CCCC2)CC1
InChIInChI=1S/C13H22BrF3N2/c14-9-12(3-1-2-4-12)10-18-5-7-19(8-6-18)11-13(15,16)17/h1-11H2
InChIKeyHTMJZAYVTNGLDY-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 65002905) is 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(CC2(CBr)CCCC2)CC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is HTMJZAYVTNGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrF3N2/c14-9-12(3-1-2-4-12)10-18-5-7-19(8-6-18)11-13(15,16)17/h1-11H2.
What are the key properties of 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 343.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopentyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 65002905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).