1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride

C8H16ClFN2 — CID 75464903

IUPAC1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
SMILESCl.FC1CCN(C2CNC2)CC1
InChIInChI=1S/C8H15FN2.ClH/c9-7-1-3-11(4-2-7)8-5-10-6-8;/h7-8,10H,1-6H2;1H
InChIKeyHSMGMZSSEHOJGA-UHFFFAOYSA-N
MW194.68 g/mol
LogP0.81
Rot. Bonds1

About 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride

1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride (PubChem CID 75464903) has the molecular formula C8H16ClFN2 and a molecular weight of 194.68 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
PubChem CID75464903
Molecular FormulaC8H16ClFN2
Molecular Weight194.68 g/mol
Exact Mass194.10
IUPAC Name1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
SMILESCl.FC1CCN(C2CNC2)CC1
InChIInChI=1S/C8H15FN2.ClH/c9-7-1-3-11(4-2-7)8-5-10-6-8;/h7-8,10H,1-6H2;1H
InChIKeyHSMGMZSSEHOJGA-UHFFFAOYSA-N
XLogP0.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride?
The IUPAC name of 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride (CID 75464903) is 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride.
What is the SMILES notation for 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride?
The canonical SMILES for 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride is Cl.FC1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride?
The InChIKey is HSMGMZSSEHOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2.ClH/c9-7-1-3-11(4-2-7)8-5-10-6-8;/h7-8,10H,1-6H2;1H.
What are the key properties of 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride?
1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride has a molecular weight of 194.68 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride is sourced from PubChem (CID 75464903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).