1-(2-fluoroethyl)piperidin-4-amine;hydrochloride

C7H16ClFN2 — CID 87367240

IUPAC1-(2-fluoroethyl)piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(CCF)CC1
InChIInChI=1S/C7H15FN2.ClH/c8-3-6-10-4-1-7(9)2-5-10;/h7H,1-6,9H2;1H
InChIKeyQENBADYCUJIHOZ-UHFFFAOYSA-N
MW182.67 g/mol
LogP0.80
Rot. Bonds2

About 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride

1-(2-fluoroethyl)piperidin-4-amine;hydrochloride (PubChem CID 87367240) has the molecular formula C7H16ClFN2 and a molecular weight of 182.67 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidin-4-amine;hydrochloride
PubChem CID87367240
Molecular FormulaC7H16ClFN2
Molecular Weight182.67 g/mol
Exact Mass182.10
IUPAC Name1-(2-fluoroethyl)piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(CCF)CC1
InChIInChI=1S/C7H15FN2.ClH/c8-3-6-10-4-1-7(9)2-5-10;/h7H,1-6,9H2;1H
InChIKeyQENBADYCUJIHOZ-UHFFFAOYSA-N
XLogP0.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.67
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride (CID 87367240) is 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride is Cl.NC1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride?
The InChIKey is QENBADYCUJIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2.ClH/c8-3-6-10-4-1-7(9)2-5-10;/h7H,1-6,9H2;1H.
What are the key properties of 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride?
1-(2-fluoroethyl)piperidin-4-amine;hydrochloride has a molecular weight of 182.67 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 87367240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).