3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid

C13H24F3N3O2 — CID 68834679

IUPAC3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCN(CC2CCC(N)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H23N3.C2HF3O2/c1-13-4-6-14(7-5-13)9-10-2-3-11(12)8-10;3-2(4,5)1(6)7/h10-11H,2-9,12H2,1H3;(H,6,7)
InChIKeyZSBKHZFWDKWTIW-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.99
Rot. Bonds2

About 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid

3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 68834679) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID68834679
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCN(CC2CCC(N)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H23N3.C2HF3O2/c1-13-4-6-14(7-5-13)9-10-2-3-11(12)8-10;3-2(4,5)1(6)7/h10-11H,2-9,12H2,1H3;(H,6,7)
InChIKeyZSBKHZFWDKWTIW-UHFFFAOYSA-N
XLogP0.99
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid 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 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid (CID 68834679) is 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid is CN1CCN(CC2CCC(N)C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ZSBKHZFWDKWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.C2HF3O2/c1-13-4-6-14(7-5-13)9-10-2-3-11(12)8-10;3-2(4,5)1(6)7/h10-11H,2-9,12H2,1H3;(H,6,7).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid?
3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 311.35 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68834679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).