3-piperidin-4-ylaniline;hydrochloride

C11H17ClN2 — CID 23103412

IUPAC3-piperidin-4-ylaniline;hydrochloride
SMILESCl.Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C11H16N2.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7,12H2;1H
InChIKeyNIEAWKIGQRWSIX-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.16
Rot. Bonds1

About 3-piperidin-4-ylaniline;hydrochloride

3-piperidin-4-ylaniline;hydrochloride (PubChem CID 23103412) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-piperidin-4-ylaniline;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-ylaniline;hydrochloride
PubChem CID23103412
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-piperidin-4-ylaniline;hydrochloride
SMILESCl.Nc1cccc(C2CCNCC2)c1
InChIInChI=1S/C11H16N2.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7,12H2;1H
InChIKeyNIEAWKIGQRWSIX-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-piperidin-4-ylaniline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylaniline;hydrochloride?
The IUPAC name of 3-piperidin-4-ylaniline;hydrochloride (CID 23103412) is 3-piperidin-4-ylaniline;hydrochloride.
What is the SMILES notation for 3-piperidin-4-ylaniline;hydrochloride?
The canonical SMILES for 3-piperidin-4-ylaniline;hydrochloride is Cl.Nc1cccc(C2CCNCC2)c1.
What is the InChIKey of 3-piperidin-4-ylaniline;hydrochloride?
The InChIKey is NIEAWKIGQRWSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7,12H2;1H.
What are the key properties of 3-piperidin-4-ylaniline;hydrochloride?
3-piperidin-4-ylaniline;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylaniline;hydrochloride is sourced from PubChem (CID 23103412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).