1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride

C7H15Cl2F3N2 — CID 175596076

IUPAC1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(F)C(F)F)C1
InChIInChI=1S/C7H13F3N2.2ClH/c8-6(9)7(10)12-3-1-2-5(11)4-12;;/h5-7H,1-4,11H2;2*1H
InChIKeyUUIIUJJKADYJGM-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.81
Rot. Bonds2

About 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride

1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride (PubChem CID 175596076) has the molecular formula C7H15Cl2F3N2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride
PubChem CID175596076
Molecular FormulaC7H15Cl2F3N2
Molecular Weight255.11 g/mol
Exact Mass254.06
IUPAC Name1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(F)C(F)F)C1
InChIInChI=1S/C7H13F3N2.2ClH/c8-6(9)7(10)12-3-1-2-5(11)4-12;;/h5-7H,1-4,11H2;2*1H
InChIKeyUUIIUJJKADYJGM-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride?
The IUPAC name of 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride (CID 175596076) is 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride is Cl.Cl.NC1CCCN(C(F)C(F)F)C1.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride?
The InChIKey is UUIIUJJKADYJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.2ClH/c8-6(9)7(10)12-3-1-2-5(11)4-12;;/h5-7H,1-4,11H2;2*1H.
What are the key properties of 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride?
1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride has a molecular weight of 255.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 175596076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).