[1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H18F3N3O — CID 80588379

IUPAC[1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-16-3-5-17(6-4-16)9(18)10(7-15)1-2-10/h1-8,15H2
InChIKeyMSPFUFXZBLALSB-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.43
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

[1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 80588379) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID80588379
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name[1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C11H18F3N3O/c12-11(13,14)8-16-3-5-17(6-4-16)9(18)10(7-15)1-2-10/h1-8,15H2
InChIKeyMSPFUFXZBLALSB-UHFFFAOYSA-N
XLogP0.43
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 80588379) is [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NCC1(C(=O)N2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is MSPFUFXZBLALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c12-11(13,14)8-16-3-5-17(6-4-16)9(18)10(7-15)1-2-10/h1-8,15H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
[1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 265.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 80588379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).