4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline

C14H22N2O — CID 107390674

IUPAC4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
SMILESCOC1(C)CCCN(Cc2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2O/c1-14(17-2)8-3-9-16(11-14)10-12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3
InChIKeyARRFLDUPSHGMCK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline

4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline (PubChem CID 107390674) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
PubChem CID107390674
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
SMILESCOC1(C)CCCN(Cc2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2O/c1-14(17-2)8-3-9-16(11-14)10-12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3
InChIKeyARRFLDUPSHGMCK-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3-methoxy-3-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

Related Compounds

4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390766
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802
[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107390827
5-chloro-6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394965
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307442
N-ethyl-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 107394995
2-methoxy-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzonitrile
CID 107392633
1-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]pyrazol-3-amine
CID 107390668
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]quinolin-2-amine
CID 107394991
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline (CID 107390674) is 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline is COC1(C)CCCN(Cc2ccc(N)cc2)C1.
What is the InChIKey of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
The InChIKey is ARRFLDUPSHGMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(17-2)8-3-9-16(11-14)10-12-4-6-13(15)7-5-12/h4-7H,3,8-11,15H2,1-2H3.
What are the key properties of 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline?
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 107390674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).