5-chloro-2-piperidin-1-ylaniline;hydrochloride

C11H16Cl2N2 — CID 43810414

IUPAC5-chloro-2-piperidin-1-ylaniline;hydrochloride
SMILESCl.Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C11H15ClN2.ClH/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H
InChIKeyHZDBSBKFAAMSNZ-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.33
Rot. Bonds1

About 5-chloro-2-piperidin-1-ylaniline;hydrochloride

5-chloro-2-piperidin-1-ylaniline;hydrochloride (PubChem CID 43810414) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 5-chloro-2-piperidin-1-ylaniline;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-piperidin-1-ylaniline;hydrochloride
PubChem CID43810414
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name5-chloro-2-piperidin-1-ylaniline;hydrochloride
SMILESCl.Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C11H15ClN2.ClH/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H
InChIKeyHZDBSBKFAAMSNZ-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-piperidin-1-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 5-chloro-2-piperidin-1-ylaniline;hydrochloride?
The IUPAC name of 5-chloro-2-piperidin-1-ylaniline;hydrochloride (CID 43810414) is 5-chloro-2-piperidin-1-ylaniline;hydrochloride.
What is the SMILES notation for 5-chloro-2-piperidin-1-ylaniline;hydrochloride?
The canonical SMILES for 5-chloro-2-piperidin-1-ylaniline;hydrochloride is Cl.Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 5-chloro-2-piperidin-1-ylaniline;hydrochloride?
The InChIKey is HZDBSBKFAAMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H.
What are the key properties of 5-chloro-2-piperidin-1-ylaniline;hydrochloride?
5-chloro-2-piperidin-1-ylaniline;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-piperidin-1-ylaniline;hydrochloride is sourced from PubChem (CID 43810414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).