3-(aminomethyl)-2-piperidin-1-ylaniline

C12H19N3 — CID 70587654

IUPAC3-(aminomethyl)-2-piperidin-1-ylaniline
SMILESNCc1cccc(N)c1N1CCCCC1
InChIInChI=1S/C12H19N3/c13-9-10-5-4-6-11(14)12(10)15-7-2-1-3-8-15/h4-6H,1-3,7-9,13-14H2
InChIKeyUGBOIPYWTVBGHG-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.72
Rot. Bonds2

About 3-(aminomethyl)-2-piperidin-1-ylaniline

3-(aminomethyl)-2-piperidin-1-ylaniline (PubChem CID 70587654) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(aminomethyl)-2-piperidin-1-ylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-2-piperidin-1-ylaniline
PubChem CID70587654
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(aminomethyl)-2-piperidin-1-ylaniline
SMILESNCc1cccc(N)c1N1CCCCC1
InChIInChI=1S/C12H19N3/c13-9-10-5-4-6-11(14)12(10)15-7-2-1-3-8-15/h4-6H,1-3,7-9,13-14H2
InChIKeyUGBOIPYWTVBGHG-UHFFFAOYSA-N
XLogP1.72
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-(aminomethyl)-2-piperidin-1-ylaniline?
The IUPAC name of 3-(aminomethyl)-2-piperidin-1-ylaniline (CID 70587654) is 3-(aminomethyl)-2-piperidin-1-ylaniline.
What is the SMILES notation for 3-(aminomethyl)-2-piperidin-1-ylaniline?
The canonical SMILES for 3-(aminomethyl)-2-piperidin-1-ylaniline is NCc1cccc(N)c1N1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-2-piperidin-1-ylaniline?
The InChIKey is UGBOIPYWTVBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-9-10-5-4-6-11(14)12(10)15-7-2-1-3-8-15/h4-6H,1-3,7-9,13-14H2.
What are the key properties of 3-(aminomethyl)-2-piperidin-1-ylaniline?
3-(aminomethyl)-2-piperidin-1-ylaniline has a molecular weight of 205.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-piperidin-1-ylaniline is sourced from PubChem (CID 70587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).