4-chloro-2-piperidin-1-ylaniline

C11H15ClN2 — CID 66545138

IUPAC4-chloro-2-piperidin-1-ylaniline
SMILESNc1ccc(Cl)cc1N1CCCCC1
InChIInChI=1S/C11H15ClN2/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyLCMXORPWQZAMOD-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.91
Rot. Bonds1

About 4-chloro-2-piperidin-1-ylaniline

4-chloro-2-piperidin-1-ylaniline (PubChem CID 66545138) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-chloro-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name4-chloro-2-piperidin-1-ylaniline
PubChem CID66545138
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-chloro-2-piperidin-1-ylaniline
SMILESNc1ccc(Cl)cc1N1CCCCC1
InChIInChI=1S/C11H15ClN2/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyLCMXORPWQZAMOD-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.91
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 4-chloro-2-piperidin-1-ylaniline?
The IUPAC name of 4-chloro-2-piperidin-1-ylaniline (CID 66545138) is 4-chloro-2-piperidin-1-ylaniline.
What is the SMILES notation for 4-chloro-2-piperidin-1-ylaniline?
The canonical SMILES for 4-chloro-2-piperidin-1-ylaniline is Nc1ccc(Cl)cc1N1CCCCC1.
What is the InChIKey of 4-chloro-2-piperidin-1-ylaniline?
The InChIKey is LCMXORPWQZAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2.
What are the key properties of 4-chloro-2-piperidin-1-ylaniline?
4-chloro-2-piperidin-1-ylaniline has a molecular weight of 210.71 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-piperidin-1-ylaniline is sourced from PubChem (CID 66545138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).