4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline

C14H22N2O — CID 121203126

IUPAC4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline
SMILESCOCC1(C)CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N2O/c1-14(11-17-2)7-9-16(10-8-14)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3
InChIKeyYYHJSJZFPHHMLN-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.52
Rot. Bonds3

About 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline

4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline (PubChem CID 121203126) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline.

Molecular Properties

Compound Name4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline
PubChem CID121203126
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline
SMILESCOCC1(C)CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H22N2O/c1-14(11-17-2)7-9-16(10-8-14)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3
InChIKeyYYHJSJZFPHHMLN-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]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-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline?
The IUPAC name of 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline (CID 121203126) is 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline.
What is the SMILES notation for 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline?
The canonical SMILES for 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline is COCC1(C)CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline?
The InChIKey is YYHJSJZFPHHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(11-17-2)7-9-16(10-8-14)13-5-3-12(15)4-6-13/h3-6H,7-11,15H2,1-2H3.
What are the key properties of 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline?
4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline is sourced from PubChem (CID 121203126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).