3,3,4,5,5-pentadeuteriopiperidin-4-amine

C5H12N2 — CID 117064667

IUPAC3,3,4,5,5-pentadeuteriopiperidin-4-amine
SMILES[2H]C1([2H])CNCC([2H])([2H])C1([2H])N
InChIInChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2/i1D2,2D2,5D
InChIKeyBCIIMDOZSUCSEN-QJWYSIDNSA-N
MW105.20 g/mol
LogP-0.30
Rot. Bonds

About 3,3,4,5,5-pentadeuteriopiperidin-4-amine

3,3,4,5,5-pentadeuteriopiperidin-4-amine (PubChem CID 117064667) has the molecular formula C5H12N2 and a molecular weight of 105.20 g/mol. Its IUPAC name is 3,3,4,5,5-pentadeuteriopiperidin-4-amine.

Molecular Properties

Compound Name3,3,4,5,5-pentadeuteriopiperidin-4-amine
PubChem CID117064667
Molecular FormulaC5H12N2
Molecular Weight105.20 g/mol
Exact Mass105.13
IUPAC Name3,3,4,5,5-pentadeuteriopiperidin-4-amine
SMILES[2H]C1([2H])CNCC([2H])([2H])C1([2H])N
InChIInChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2/i1D2,2D2,5D
InChIKeyBCIIMDOZSUCSEN-QJWYSIDNSA-N
XLogP-0.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentadeuteriopiperidin-4-amine?
The IUPAC name of 3,3,4,5,5-pentadeuteriopiperidin-4-amine (CID 117064667) is 3,3,4,5,5-pentadeuteriopiperidin-4-amine.
What is the SMILES notation for 3,3,4,5,5-pentadeuteriopiperidin-4-amine?
The canonical SMILES for 3,3,4,5,5-pentadeuteriopiperidin-4-amine is [2H]C1([2H])CNCC([2H])([2H])C1([2H])N.
What is the InChIKey of 3,3,4,5,5-pentadeuteriopiperidin-4-amine?
The InChIKey is BCIIMDOZSUCSEN-QJWYSIDNSA-N. The full InChI is InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2/i1D2,2D2,5D.
What are the key properties of 3,3,4,5,5-pentadeuteriopiperidin-4-amine?
3,3,4,5,5-pentadeuteriopiperidin-4-amine has a molecular weight of 105.20 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentadeuteriopiperidin-4-amine is sourced from PubChem (CID 117064667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).