4-(fluoromethyl)piperidine;hydrochloride

C6H13ClFN — CID 23110104

IUPAC4-(fluoromethyl)piperidine;hydrochloride
SMILESCl.FCC1CCNCC1
InChIInChI=1S/C6H12FN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKeyGDUQKYYPOBCIJO-UHFFFAOYSA-N
MW153.63 g/mol
LogP1.38
Rot. Bonds1

About 4-(fluoromethyl)piperidine;hydrochloride

4-(fluoromethyl)piperidine;hydrochloride (PubChem CID 23110104) has the molecular formula C6H13ClFN and a molecular weight of 153.63 g/mol. Its IUPAC name is 4-(fluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(fluoromethyl)piperidine;hydrochloride
PubChem CID23110104
Molecular FormulaC6H13ClFN
Molecular Weight153.63 g/mol
Exact Mass153.07
IUPAC Name4-(fluoromethyl)piperidine;hydrochloride
SMILESCl.FCC1CCNCC1
InChIInChI=1S/C6H12FN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKeyGDUQKYYPOBCIJO-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)piperidine;hydrochloride?
The IUPAC name of 4-(fluoromethyl)piperidine;hydrochloride (CID 23110104) is 4-(fluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(fluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(fluoromethyl)piperidine;hydrochloride is Cl.FCC1CCNCC1.
What is the InChIKey of 4-(fluoromethyl)piperidine;hydrochloride?
The InChIKey is GDUQKYYPOBCIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H.
What are the key properties of 4-(fluoromethyl)piperidine;hydrochloride?
4-(fluoromethyl)piperidine;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 23110104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).