2,5-diamino-1-piperidin-1-ylpentan-1-one

C10H21N3O — CID 10081481

IUPAC2,5-diamino-1-piperidin-1-ylpentan-1-one
SMILESNCCCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C10H21N3O/c11-6-4-5-9(12)10(14)13-7-2-1-3-8-13/h9H,1-8,11-12H2
InChIKeyDTQUBNMARYWEPV-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.07
Rot. Bonds4

About 2,5-diamino-1-piperidin-1-ylpentan-1-one

2,5-diamino-1-piperidin-1-ylpentan-1-one (PubChem CID 10081481) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,5-diamino-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2,5-diamino-1-piperidin-1-ylpentan-1-one
PubChem CID10081481
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,5-diamino-1-piperidin-1-ylpentan-1-one
SMILESNCCCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C10H21N3O/c11-6-4-5-9(12)10(14)13-7-2-1-3-8-13/h9H,1-8,11-12H2
InChIKeyDTQUBNMARYWEPV-UHFFFAOYSA-N
XLogP0.07
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 2,5-diamino-1-piperidin-1-ylpentan-1-one (CID 10081481) is 2,5-diamino-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 2,5-diamino-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 2,5-diamino-1-piperidin-1-ylpentan-1-one is NCCCC(N)C(=O)N1CCCCC1.
What is the InChIKey of 2,5-diamino-1-piperidin-1-ylpentan-1-one?
The InChIKey is DTQUBNMARYWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c11-6-4-5-9(12)10(14)13-7-2-1-3-8-13/h9H,1-8,11-12H2.
What are the key properties of 2,5-diamino-1-piperidin-1-ylpentan-1-one?
2,5-diamino-1-piperidin-1-ylpentan-1-one has a molecular weight of 199.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 10081481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).