2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride

C5H11ClF2N2 — CID 87608597

IUPAC2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride
SMILESCl.[2H]C1([2H])CC(F)(F)CC([2H])([2H])N1N
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)1-3-9(8)4-2-5;/h1-4,8H2;1H/i3D2,4D2;
InChIKeyLGGVLGIRPRCSTN-URZLSVTISA-N
MW176.63 g/mol
LogP1.01
Rot. Bonds

About 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride

2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride (PubChem CID 87608597) has the molecular formula C5H11ClF2N2 and a molecular weight of 176.63 g/mol. Its IUPAC name is 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride
PubChem CID87608597
Molecular FormulaC5H11ClF2N2
Molecular Weight176.63 g/mol
Exact Mass176.08
IUPAC Name2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride
SMILESCl.[2H]C1([2H])CC(F)(F)CC([2H])([2H])N1N
InChIInChI=1S/C5H10F2N2.ClH/c6-5(7)1-3-9(8)4-2-5;/h1-4,8H2;1H/i3D2,4D2;
InChIKeyLGGVLGIRPRCSTN-URZLSVTISA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-Aminopiperidine
CID 16658
1-Piperidinamine, hydrochloride (1:1)
CID 148996
4,4-Difluoropiperidin-1-amine
CID 53404070
4-(Trifluoromethyl)piperidin-1-amine dihydrochloride
CID 122163370
N-(2,2,2-trifluoroethyl)piperidin-1-amine
CID 17810647
3-Fluoro-piperidin-1-ylamine
CID 49761204
3,3-Difluoro-piperidin-1-ylamine
CID 49761216
4-Fluoro-piperidin-1-ylamine
CID 53404320
3-(Trifluoromethyl)piperidin-1-amine
CID 53417581
4-(Trifluoromethyl)piperidin-1-amine
CID 53418162
4,4-difluoro-N-methylpiperidin-1-amine
CID 57581199
3,3-difluoro-N-methylpiperidin-1-amine
CID 57581227

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride?
The IUPAC name of 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride (CID 87608597) is 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride.
What is the SMILES notation for 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride?
The canonical SMILES for 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride is Cl.[2H]C1([2H])CC(F)(F)CC([2H])([2H])N1N.
What is the InChIKey of 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride?
The InChIKey is LGGVLGIRPRCSTN-URZLSVTISA-N. The full InChI is InChI=1S/C5H10F2N2.ClH/c6-5(7)1-3-9(8)4-2-5;/h1-4,8H2;1H/i3D2,4D2;.
What are the key properties of 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride?
2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride has a molecular weight of 176.63 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride is sourced from PubChem (CID 87608597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).