3-piperidin-1-ylaniline

C11H16N2 — CID 7127806

IUPAC3-piperidin-1-ylaniline
SMILESNc1cccc(N2CCCCC2)c1
InChIInChI=1S/C11H16N2/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
InChIKeyHHPBFHJCBMETRO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.26
Rot. Bonds1

About 3-piperidin-1-ylaniline

3-piperidin-1-ylaniline (PubChem CID 7127806) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-piperidin-1-ylaniline.

Molecular Properties

Compound Name3-piperidin-1-ylaniline
PubChem CID7127806
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-piperidin-1-ylaniline
SMILESNc1cccc(N2CCCCC2)c1
InChIInChI=1S/C11H16N2/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2
InChIKeyHHPBFHJCBMETRO-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylaniline?
The IUPAC name of 3-piperidin-1-ylaniline (CID 7127806) is 3-piperidin-1-ylaniline.
What is the SMILES notation for 3-piperidin-1-ylaniline?
The canonical SMILES for 3-piperidin-1-ylaniline is Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylaniline?
The InChIKey is HHPBFHJCBMETRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8,12H2.
What are the key properties of 3-piperidin-1-ylaniline?
3-piperidin-1-ylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylaniline is sourced from PubChem (CID 7127806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).