2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride

C10H19ClF3N — CID 119031618

IUPAC2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride
SMILESCC(C)CC1CCCC(C(F)(F)F)N1.Cl
InChIInChI=1S/C10H18F3N.ClH/c1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;/h7-9,14H,3-6H2,1-2H3;1H
InChIKeyHBGQJOGPQKUKSD-UHFFFAOYSA-N
MW245.72 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride

2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 119031618) has the molecular formula C10H19ClF3N and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride
PubChem CID119031618
Molecular FormulaC10H19ClF3N
Molecular Weight245.72 g/mol
Exact Mass245.12
IUPAC Name2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride
SMILESCC(C)CC1CCCC(C(F)(F)F)N1.Cl
InChIInChI=1S/C10H18F3N.ClH/c1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;/h7-9,14H,3-6H2,1-2H3;1H
InChIKeyHBGQJOGPQKUKSD-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride (CID 119031618) is 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride is CC(C)CC1CCCC(C(F)(F)F)N1.Cl.
What is the InChIKey of 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is HBGQJOGPQKUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N.ClH/c1-7(2)6-8-4-3-5-9(14-8)10(11,12)13;/h7-9,14H,3-6H2,1-2H3;1H.
What are the key properties of 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride?
2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 119031618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).