4-piperidin-1-ylbenzene-1,2-diamine

C11H17N3 — CID 13381914

IUPAC4-piperidin-1-ylbenzene-1,2-diamine
SMILESNc1ccc(N2CCCCC2)cc1N
InChIInChI=1S/C11H17N3/c12-10-5-4-9(8-11(10)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,12-13H2
InChIKeyAEINPSBURKLEEA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.84
Rot. Bonds1

About 4-piperidin-1-ylbenzene-1,2-diamine

4-piperidin-1-ylbenzene-1,2-diamine (PubChem CID 13381914) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-piperidin-1-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-piperidin-1-ylbenzene-1,2-diamine
PubChem CID13381914
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-piperidin-1-ylbenzene-1,2-diamine
SMILESNc1ccc(N2CCCCC2)cc1N
InChIInChI=1S/C11H17N3/c12-10-5-4-9(8-11(10)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,12-13H2
InChIKeyAEINPSBURKLEEA-UHFFFAOYSA-N
XLogP1.84
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbenzene-1,2-diamine?
The IUPAC name of 4-piperidin-1-ylbenzene-1,2-diamine (CID 13381914) is 4-piperidin-1-ylbenzene-1,2-diamine.
What is the SMILES notation for 4-piperidin-1-ylbenzene-1,2-diamine?
The canonical SMILES for 4-piperidin-1-ylbenzene-1,2-diamine is Nc1ccc(N2CCCCC2)cc1N.
What is the InChIKey of 4-piperidin-1-ylbenzene-1,2-diamine?
The InChIKey is AEINPSBURKLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-10-5-4-9(8-11(10)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,12-13H2.
What are the key properties of 4-piperidin-1-ylbenzene-1,2-diamine?
4-piperidin-1-ylbenzene-1,2-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbenzene-1,2-diamine is sourced from PubChem (CID 13381914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).