4-(difluoromethyl)piperidine;hydrochloride

C6H12ClF2N — CID 53346560

IUPAC4-(difluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)C1CCNCC1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
InChIKeyGBTVMRGLIWAZPK-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.67
Rot. Bonds1

About 4-(difluoromethyl)piperidine;hydrochloride

4-(difluoromethyl)piperidine;hydrochloride (PubChem CID 53346560) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 4-(difluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethyl)piperidine;hydrochloride
PubChem CID53346560
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name4-(difluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)C1CCNCC1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
InChIKeyGBTVMRGLIWAZPK-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)piperidine;hydrochloride?
The IUPAC name of 4-(difluoromethyl)piperidine;hydrochloride (CID 53346560) is 4-(difluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(difluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(difluoromethyl)piperidine;hydrochloride is Cl.FC(F)C1CCNCC1.
What is the InChIKey of 4-(difluoromethyl)piperidine;hydrochloride?
The InChIKey is GBTVMRGLIWAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H.
What are the key properties of 4-(difluoromethyl)piperidine;hydrochloride?
4-(difluoromethyl)piperidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 53346560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).