3-chloro-2-(4-ethoxypiperidin-1-yl)aniline

C13H19ClN2O — CID 61220696

IUPAC3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
SMILESCCOC1CCN(c2c(N)cccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-2-17-10-6-8-16(9-7-10)13-11(14)4-3-5-12(13)15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyPASZUPYPGMAWGI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.93
Rot. Bonds3

About 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline

3-chloro-2-(4-ethoxypiperidin-1-yl)aniline (PubChem CID 61220696) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
PubChem CID61220696
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-chloro-2-(4-ethoxypiperidin-1-yl)aniline
SMILESCCOC1CCN(c2c(N)cccc2Cl)CC1
InChIInChI=1S/C13H19ClN2O/c1-2-17-10-6-8-16(9-7-10)13-11(14)4-3-5-12(13)15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyPASZUPYPGMAWGI-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-ethoxypiperidin-1-yl)aniline?
The IUPAC name of 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline (CID 61220696) is 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline.
What is the SMILES notation for 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline?
The canonical SMILES for 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline is CCOC1CCN(c2c(N)cccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline?
The InChIKey is PASZUPYPGMAWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-17-10-6-8-16(9-7-10)13-11(14)4-3-5-12(13)15/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline?
3-chloro-2-(4-ethoxypiperidin-1-yl)aniline has a molecular weight of 254.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-ethoxypiperidin-1-yl)aniline is sourced from PubChem (CID 61220696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).