3-chloro-2-piperidin-1-ylaniline;dihydrochloride

C11H17Cl3N2 — CID 53412034

IUPAC3-chloro-2-piperidin-1-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C11H15ClN2.2ClH/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14;;/h4-6H,1-3,7-8,13H2;2*1H
InChIKeyJCRHBDGNNNLHOH-UHFFFAOYSA-N
MW283.63 g/mol
LogP3.76
Rot. Bonds1

About 3-chloro-2-piperidin-1-ylaniline;dihydrochloride

3-chloro-2-piperidin-1-ylaniline;dihydrochloride (PubChem CID 53412034) has the molecular formula C11H17Cl3N2 and a molecular weight of 283.63 g/mol. Its IUPAC name is 3-chloro-2-piperidin-1-ylaniline;dihydrochloride.

Molecular Properties

Compound Name3-chloro-2-piperidin-1-ylaniline;dihydrochloride
PubChem CID53412034
Molecular FormulaC11H17Cl3N2
Molecular Weight283.63 g/mol
Exact Mass282.05
IUPAC Name3-chloro-2-piperidin-1-ylaniline;dihydrochloride
SMILESCl.Cl.Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C11H15ClN2.2ClH/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14;;/h4-6H,1-3,7-8,13H2;2*1H
InChIKeyJCRHBDGNNNLHOH-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 53.76
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-chloro-2-piperidin-1-ylaniline;dihydrochloride?
The IUPAC name of 3-chloro-2-piperidin-1-ylaniline;dihydrochloride (CID 53412034) is 3-chloro-2-piperidin-1-ylaniline;dihydrochloride.
What is the SMILES notation for 3-chloro-2-piperidin-1-ylaniline;dihydrochloride?
The canonical SMILES for 3-chloro-2-piperidin-1-ylaniline;dihydrochloride is Cl.Cl.Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of 3-chloro-2-piperidin-1-ylaniline;dihydrochloride?
The InChIKey is JCRHBDGNNNLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.2ClH/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14;;/h4-6H,1-3,7-8,13H2;2*1H.
What are the key properties of 3-chloro-2-piperidin-1-ylaniline;dihydrochloride?
3-chloro-2-piperidin-1-ylaniline;dihydrochloride has a molecular weight of 283.63 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperidin-1-ylaniline;dihydrochloride is sourced from PubChem (CID 53412034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).