2,6-dimethoxy-4-piperidin-4-ylaniline

C13H20N2O2 — CID 117345445

IUPAC2,6-dimethoxy-4-piperidin-4-ylaniline
SMILESCOc1cc(C2CCNCC2)cc(OC)c1N
InChIInChI=1S/C13H20N2O2/c1-16-11-7-10(8-12(17-2)13(11)14)9-3-5-15-6-4-9/h7-9,15H,3-6,14H2,1-2H3
InChIKeyFBZJKJYKNUERBY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds3

About 2,6-dimethoxy-4-piperidin-4-ylaniline

2,6-dimethoxy-4-piperidin-4-ylaniline (PubChem CID 117345445) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,6-dimethoxy-4-piperidin-4-ylaniline.

Molecular Properties

Compound Name2,6-dimethoxy-4-piperidin-4-ylaniline
PubChem CID117345445
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2,6-dimethoxy-4-piperidin-4-ylaniline
SMILESCOc1cc(C2CCNCC2)cc(OC)c1N
InChIInChI=1S/C13H20N2O2/c1-16-11-7-10(8-12(17-2)13(11)14)9-3-5-15-6-4-9/h7-9,15H,3-6,14H2,1-2H3
InChIKeyFBZJKJYKNUERBY-UHFFFAOYSA-N
XLogP1.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-4-(piperidin-4-ylmethyl)aniline
CID 117379596
4-(3-bromo-4-ethyl-5-methoxyphenyl)piperidine
CID 117480594
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421921
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
CID 117448460
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
CID 117476790
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-piperidin-4-ylaniline?
The IUPAC name of 2,6-dimethoxy-4-piperidin-4-ylaniline (CID 117345445) is 2,6-dimethoxy-4-piperidin-4-ylaniline.
What is the SMILES notation for 2,6-dimethoxy-4-piperidin-4-ylaniline?
The canonical SMILES for 2,6-dimethoxy-4-piperidin-4-ylaniline is COc1cc(C2CCNCC2)cc(OC)c1N.
What is the InChIKey of 2,6-dimethoxy-4-piperidin-4-ylaniline?
The InChIKey is FBZJKJYKNUERBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-11-7-10(8-12(17-2)13(11)14)9-3-5-15-6-4-9/h7-9,15H,3-6,14H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-piperidin-4-ylaniline?
2,6-dimethoxy-4-piperidin-4-ylaniline has a molecular weight of 236.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-piperidin-4-ylaniline is sourced from PubChem (CID 117345445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).