3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride

C8H15ClF3N — CID 86775310

IUPAC3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride
SMILESCC1(C)CNCCC1C(F)(F)F.Cl
InChIInChI=1S/C8H14F3N.ClH/c1-7(2)5-12-4-3-6(7)8(9,10)11;/h6,12H,3-5H2,1-2H3;1H
InChIKeyBNXBKDSPCQRMHZ-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.61
Rot. Bonds

About 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride

3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 86775310) has the molecular formula C8H15ClF3N and a molecular weight of 217.66 g/mol. Its IUPAC name is 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride
PubChem CID86775310
Molecular FormulaC8H15ClF3N
Molecular Weight217.66 g/mol
Exact Mass217.08
IUPAC Name3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride
SMILESCC1(C)CNCCC1C(F)(F)F.Cl
InChIInChI=1S/C8H14F3N.ClH/c1-7(2)5-12-4-3-6(7)8(9,10)11;/h6,12H,3-5H2,1-2H3;1H
InChIKeyBNXBKDSPCQRMHZ-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-4-(trifluoromethyl)piperidine;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 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride (CID 86775310) is 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride is CC1(C)CNCCC1C(F)(F)F.Cl.
What is the InChIKey of 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is BNXBKDSPCQRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.ClH/c1-7(2)5-12-4-3-6(7)8(9,10)11;/h6,12H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride?
3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 86775310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).