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

C7H17Cl2FN2 — CID 86637499

IUPAC1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CCF)CC1
InChIInChI=1S/C7H15FN2.2ClH/c8-3-6-10-4-1-7(9)2-5-10;;/h7H,1-6,9H2;2*1H
InChIKeyPXJMNVGUXLUTBD-UHFFFAOYSA-N
MW219.13 g/mol
LogP1.22
Rot. Bonds2

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

1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride (PubChem CID 86637499) has the molecular formula C7H17Cl2FN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
PubChem CID86637499
Molecular FormulaC7H17Cl2FN2
Molecular Weight219.13 g/mol
Exact Mass218.08
IUPAC Name1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CCF)CC1
InChIInChI=1S/C7H15FN2.2ClH/c8-3-6-10-4-1-7(9)2-5-10;;/h7H,1-6,9H2;2*1H
InChIKeyPXJMNVGUXLUTBD-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.22
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;dihydrochloride?
The IUPAC name of 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride (CID 86637499) is 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is PXJMNVGUXLUTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2.2ClH/c8-3-6-10-4-1-7(9)2-5-10;;/h7H,1-6,9H2;2*1H.
What are the key properties of 1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride?
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 219.13 g/mol, XLogP of 1.22, 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;dihydrochloride is sourced from PubChem (CID 86637499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).