[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride

C8H17Cl2F3N2 — CID 119056959

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-3-1-2-7(4-12)5-13;;/h7H,1-6,12H2;2*1H
InChIKeyYUACIXJZQCARNC-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.06
Rot. Bonds2

About [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride

[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride (PubChem CID 119056959) has the molecular formula C8H17Cl2F3N2 and a molecular weight of 269.14 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride
PubChem CID119056959
Molecular FormulaC8H17Cl2F3N2
Molecular Weight269.14 g/mol
Exact Mass268.07
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-3-1-2-7(4-12)5-13;;/h7H,1-6,12H2;2*1H
InChIKeyYUACIXJZQCARNC-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride (CID 119056959) is [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride is Cl.Cl.NCC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
The InChIKey is YUACIXJZQCARNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2.2ClH/c9-8(10,11)6-13-3-1-2-7(4-12)5-13;;/h7H,1-6,12H2;2*1H.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride?
[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride has a molecular weight of 269.14 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).