4-(trifluoromethyl)piperidin-1-amine;hydrochloride

C6H12ClF3N2 — CID 122360073

IUPAC4-(trifluoromethyl)piperidin-1-amine;hydrochloride
SMILESCl.NN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2.ClH/c7-6(8,9)5-1-3-11(10)4-2-5;/h5H,1-4,10H2;1H
InChIKeyRNXSJKRBEOECOR-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.56
Rot. Bonds

About 4-(trifluoromethyl)piperidin-1-amine;hydrochloride

4-(trifluoromethyl)piperidin-1-amine;hydrochloride (PubChem CID 122360073) has the molecular formula C6H12ClF3N2 and a molecular weight of 204.62 g/mol. Its IUPAC name is 4-(trifluoromethyl)piperidin-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethyl)piperidin-1-amine;hydrochloride
PubChem CID122360073
Molecular FormulaC6H12ClF3N2
Molecular Weight204.62 g/mol
Exact Mass204.06
IUPAC Name4-(trifluoromethyl)piperidin-1-amine;hydrochloride
SMILESCl.NN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C6H11F3N2.ClH/c7-6(8,9)5-1-3-11(10)4-2-5;/h5H,1-4,10H2;1H
InChIKeyRNXSJKRBEOECOR-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(trifluoromethyl)piperidin-1-amine;hydrochloride 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 4-(trifluoromethyl)piperidin-1-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethyl)piperidin-1-amine;hydrochloride (CID 122360073) is 4-(trifluoromethyl)piperidin-1-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethyl)piperidin-1-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethyl)piperidin-1-amine;hydrochloride is Cl.NN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)piperidin-1-amine;hydrochloride?
The InChIKey is RNXSJKRBEOECOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.ClH/c7-6(8,9)5-1-3-11(10)4-2-5;/h5H,1-4,10H2;1H.
What are the key properties of 4-(trifluoromethyl)piperidin-1-amine;hydrochloride?
4-(trifluoromethyl)piperidin-1-amine;hydrochloride has a molecular weight of 204.62 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)piperidin-1-amine;hydrochloride is sourced from PubChem (CID 122360073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).