4-(2-piperidin-1-ylethoxy)aniline

C13H20N2O — CID 3016025

IUPAC4-(2-piperidin-1-ylethoxy)aniline
SMILESNc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H20N2O/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2
InChIKeyVTBHKDHFDNLZNG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-piperidin-1-ylethoxy)aniline

4-(2-piperidin-1-ylethoxy)aniline (PubChem CID 3016025) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)aniline
PubChem CID3016025
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2-piperidin-1-ylethoxy)aniline
SMILESNc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H20N2O/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2
InChIKeyVTBHKDHFDNLZNG-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)aniline?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)aniline (CID 3016025) is 4-(2-piperidin-1-ylethoxy)aniline.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)aniline?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)aniline is Nc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)aniline?
The InChIKey is VTBHKDHFDNLZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2.
What are the key properties of 4-(2-piperidin-1-ylethoxy)aniline?
4-(2-piperidin-1-ylethoxy)aniline has a molecular weight of 220.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)aniline is sourced from PubChem (CID 3016025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).