2-(4-methylpiperidin-1-yl)aniline

C12H18N2 — CID 663698

IUPAC2-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccccc2N)CC1
InChIInChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChIKeyMOJQNIVEQAVVGV-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.51
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)aniline

2-(4-methylpiperidin-1-yl)aniline (PubChem CID 663698) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)aniline
PubChem CID663698
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(4-methylpiperidin-1-yl)aniline
SMILESCC1CCN(c2ccccc2N)CC1
InChIInChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChIKeyMOJQNIVEQAVVGV-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.51
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 2-(4-methylpiperidin-1-yl)aniline?
The IUPAC name of 2-(4-methylpiperidin-1-yl)aniline (CID 663698) is 2-(4-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)aniline?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)aniline is CC1CCN(c2ccccc2N)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)aniline?
The InChIKey is MOJQNIVEQAVVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)aniline?
2-(4-methylpiperidin-1-yl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 663698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).