1,2-dideuteriopiperidine

C5H11N — CID 173270725

IUPAC1,2-dideuteriopiperidine
SMILES[2H]C1CCCCN1[2H]
InChIInChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i4D/hD
InChIKeyNQRYJNQNLNOLGT-CWOYJHTQSA-N
MW87.16 g/mol
LogP0.76
Rot. Bonds

About 1,2-dideuteriopiperidine

1,2-dideuteriopiperidine (PubChem CID 173270725) has the molecular formula C5H11N and a molecular weight of 87.16 g/mol. Its IUPAC name is 1,2-dideuteriopiperidine.

Molecular Properties

Compound Name1,2-dideuteriopiperidine
PubChem CID173270725
Molecular FormulaC5H11N
Molecular Weight87.16 g/mol
Exact Mass87.10
IUPAC Name1,2-dideuteriopiperidine
SMILES[2H]C1CCCCN1[2H]
InChIInChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i4D/hD
InChIKeyNQRYJNQNLNOLGT-CWOYJHTQSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dideuteriopiperidine?
The IUPAC name of 1,2-dideuteriopiperidine (CID 173270725) is 1,2-dideuteriopiperidine.
What is the SMILES notation for 1,2-dideuteriopiperidine?
The canonical SMILES for 1,2-dideuteriopiperidine is [2H]C1CCCCN1[2H].
What is the InChIKey of 1,2-dideuteriopiperidine?
The InChIKey is NQRYJNQNLNOLGT-CWOYJHTQSA-N. The full InChI is InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i4D/hD.
What are the key properties of 1,2-dideuteriopiperidine?
1,2-dideuteriopiperidine has a molecular weight of 87.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dideuteriopiperidine is sourced from PubChem (CID 173270725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).