4-[(2-methylpiperidin-1-yl)methyl]aniline

C13H20N2 — CID 3159023

IUPAC4-[(2-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCCCN1Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10,14H2,1H3
InChIKeyAJNSSUGFLMSCJD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.64
Rot. Bonds2

About 4-[(2-methylpiperidin-1-yl)methyl]aniline

4-[(2-methylpiperidin-1-yl)methyl]aniline (PubChem CID 3159023) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2-methylpiperidin-1-yl)methyl]aniline
PubChem CID3159023
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(2-methylpiperidin-1-yl)methyl]aniline
SMILESCC1CCCCN1Cc1ccc(N)cc1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10,14H2,1H3
InChIKeyAJNSSUGFLMSCJD-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-methylpiperidin-1-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-[(2-methylpiperidin-1-yl)methyl]aniline (CID 3159023) is 4-[(2-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(2-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(2-methylpiperidin-1-yl)methyl]aniline is CC1CCCCN1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(2-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is AJNSSUGFLMSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-3-9-15(11)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10,14H2,1H3.
What are the key properties of 4-[(2-methylpiperidin-1-yl)methyl]aniline?
4-[(2-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 3159023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).