4,5-dimethyl-2-piperidin-3-ylaniline

C13H20N2 — CID 166143865

IUPAC4,5-dimethyl-2-piperidin-3-ylaniline
SMILESCc1cc(N)c(C2CCCNC2)cc1C
InChIInChI=1S/C13H20N2/c1-9-6-12(13(14)7-10(9)2)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8,14H2,1-2H3
InChIKeyZSNAATLEFPNKPO-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.35
Rot. Bonds1

About 4,5-dimethyl-2-piperidin-3-ylaniline

4,5-dimethyl-2-piperidin-3-ylaniline (PubChem CID 166143865) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-piperidin-3-ylaniline.

Molecular Properties

Compound Name4,5-dimethyl-2-piperidin-3-ylaniline
PubChem CID166143865
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4,5-dimethyl-2-piperidin-3-ylaniline
SMILESCc1cc(N)c(C2CCCNC2)cc1C
InChIInChI=1S/C13H20N2/c1-9-6-12(13(14)7-10(9)2)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8,14H2,1-2H3
InChIKeyZSNAATLEFPNKPO-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
3-(2,4-dimethylphenyl)piperidine
CID 10535662
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
ethane;3-(2-methylphenyl)piperidine
CID 144655647
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
2-methoxy-3-piperidin-3-ylaniline
CID 174616983

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-piperidin-3-ylaniline?
The IUPAC name of 4,5-dimethyl-2-piperidin-3-ylaniline (CID 166143865) is 4,5-dimethyl-2-piperidin-3-ylaniline.
What is the SMILES notation for 4,5-dimethyl-2-piperidin-3-ylaniline?
The canonical SMILES for 4,5-dimethyl-2-piperidin-3-ylaniline is Cc1cc(N)c(C2CCCNC2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-piperidin-3-ylaniline?
The InChIKey is ZSNAATLEFPNKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-6-12(13(14)7-10(9)2)11-4-3-5-15-8-11/h6-7,11,15H,3-5,8,14H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-piperidin-3-ylaniline?
4,5-dimethyl-2-piperidin-3-ylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-piperidin-3-ylaniline is sourced from PubChem (CID 166143865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).