3-(methoxymethyl)-4-piperidin-4-ylaniline

C13H20N2O — CID 166120409

IUPAC3-(methoxymethyl)-4-piperidin-4-ylaniline
SMILESCOCc1cc(N)ccc1C1CCNCC1
InChIInChI=1S/C13H20N2O/c1-16-9-11-8-12(14)2-3-13(11)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7,9,14H2,1H3
InChIKeyQGMCTEXINBQMNO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds3

About 3-(methoxymethyl)-4-piperidin-4-ylaniline

3-(methoxymethyl)-4-piperidin-4-ylaniline (PubChem CID 166120409) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name3-(methoxymethyl)-4-piperidin-4-ylaniline
PubChem CID166120409
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(methoxymethyl)-4-piperidin-4-ylaniline
SMILESCOCc1cc(N)ccc1C1CCNCC1
InChIInChI=1S/C13H20N2O/c1-16-9-11-8-12(14)2-3-13(11)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7,9,14H2,1H3
InChIKeyQGMCTEXINBQMNO-UHFFFAOYSA-N
XLogP1.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-fluoro-2-(methoxymethyl)phenyl]pyrrolidine
CID 117299003
4-[2-methoxy-3-(methoxymethyl)phenyl]piperidine
CID 117343038
1-cyclopropyl-4-iodo-2-(methoxymethyl)benzene;hydroiodide
CID 68767832
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
3-[2,3-dimethoxy-4-(methoxymethyl)phenyl]pyrrolidine
CID 117381710
3-amino-4-piperidin-4-ylphenol
CID 117103751
4-(4-methyl-2-prop-2-enylphenyl)piperidine
CID 155201541
N,N-dimethyl-1-(5-methyl-2-piperidin-4-ylphenyl)methanamine;ethane
CID 166120310
1-cyclopropyl-2-(2-piperidin-4-yl-5-propan-2-ylphenyl)ethanone
CID 138530758
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]piperidine
CID 117386422
N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
CID 117314747

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-piperidin-4-ylaniline?
The IUPAC name of 3-(methoxymethyl)-4-piperidin-4-ylaniline (CID 166120409) is 3-(methoxymethyl)-4-piperidin-4-ylaniline.
What is the SMILES notation for 3-(methoxymethyl)-4-piperidin-4-ylaniline?
The canonical SMILES for 3-(methoxymethyl)-4-piperidin-4-ylaniline is COCc1cc(N)ccc1C1CCNCC1.
What is the InChIKey of 3-(methoxymethyl)-4-piperidin-4-ylaniline?
The InChIKey is QGMCTEXINBQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-9-11-8-12(14)2-3-13(11)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7,9,14H2,1H3.
What are the key properties of 3-(methoxymethyl)-4-piperidin-4-ylaniline?
3-(methoxymethyl)-4-piperidin-4-ylaniline has a molecular weight of 220.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-piperidin-4-ylaniline is sourced from PubChem (CID 166120409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).