2-methoxy-3-piperidin-3-ylaniline

C12H18N2O — CID 174616983

IUPAC2-methoxy-3-piperidin-3-ylaniline
SMILESCOc1c(N)cccc1C1CCCNC1
InChIInChI=1S/C12H18N2O/c1-15-12-10(5-2-6-11(12)13)9-4-3-7-14-8-9/h2,5-6,9,14H,3-4,7-8,13H2,1H3
InChIKeyMZDFTANEQCFVHR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.74
Rot. Bonds2

About 2-methoxy-3-piperidin-3-ylaniline

2-methoxy-3-piperidin-3-ylaniline (PubChem CID 174616983) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methoxy-3-piperidin-3-ylaniline.

Molecular Properties

Compound Name2-methoxy-3-piperidin-3-ylaniline
PubChem CID174616983
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methoxy-3-piperidin-3-ylaniline
SMILESCOc1c(N)cccc1C1CCCNC1
InChIInChI=1S/C12H18N2O/c1-15-12-10(5-2-6-11(12)13)9-4-3-7-14-8-9/h2,5-6,9,14H,3-4,7-8,13H2,1H3
InChIKeyMZDFTANEQCFVHR-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.74
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-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470801
3-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463652
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-piperidin-3-ylaniline?
The IUPAC name of 2-methoxy-3-piperidin-3-ylaniline (CID 174616983) is 2-methoxy-3-piperidin-3-ylaniline.
What is the SMILES notation for 2-methoxy-3-piperidin-3-ylaniline?
The canonical SMILES for 2-methoxy-3-piperidin-3-ylaniline is COc1c(N)cccc1C1CCCNC1.
What is the InChIKey of 2-methoxy-3-piperidin-3-ylaniline?
The InChIKey is MZDFTANEQCFVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-10(5-2-6-11(12)13)9-4-3-7-14-8-9/h2,5-6,9,14H,3-4,7-8,13H2,1H3.
What are the key properties of 2-methoxy-3-piperidin-3-ylaniline?
2-methoxy-3-piperidin-3-ylaniline has a molecular weight of 206.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-piperidin-3-ylaniline is sourced from PubChem (CID 174616983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).