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

C13H20N2 — CID 58255114

IUPAC2,5-dimethyl-4-piperidin-2-ylaniline
SMILESCc1cc(C2CCCCN2)c(C)cc1N
InChIInChI=1S/C13H20N2/c1-9-8-12(14)10(2)7-11(9)13-5-3-4-6-15-13/h7-8,13,15H,3-6,14H2,1-2H3
InChIKeyXTEVZHVONNDMOU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.70
Rot. Bonds1

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

2,5-dimethyl-4-piperidin-2-ylaniline (PubChem CID 58255114) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2,5-dimethyl-4-piperidin-2-ylaniline.

Molecular Properties

Compound Name2,5-dimethyl-4-piperidin-2-ylaniline
PubChem CID58255114
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2,5-dimethyl-4-piperidin-2-ylaniline
SMILESCc1cc(C2CCCCN2)c(C)cc1N
InChIInChI=1S/C13H20N2/c1-9-8-12(14)10(2)7-11(9)13-5-3-4-6-15-13/h7-8,13,15H,3-6,14H2,1-2H3
InChIKeyXTEVZHVONNDMOU-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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

2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-(5-bromo-4-chloro-2-methylphenyl)piperidine
CID 84814511
2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
4-[(2S)-piperidin-2-yl]-1H-pyrrol-3-amine
CID 130642125
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)piperidine
CID 117436351
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
CID 55296112
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
5-methyl-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274526
2-(2-methyl-4-methylsulfinylphenyl)azepane
CID 163719044

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-piperidin-2-ylaniline?
The IUPAC name of 2,5-dimethyl-4-piperidin-2-ylaniline (CID 58255114) is 2,5-dimethyl-4-piperidin-2-ylaniline.
What is the SMILES notation for 2,5-dimethyl-4-piperidin-2-ylaniline?
The canonical SMILES for 2,5-dimethyl-4-piperidin-2-ylaniline is Cc1cc(C2CCCCN2)c(C)cc1N.
What is the InChIKey of 2,5-dimethyl-4-piperidin-2-ylaniline?
The InChIKey is XTEVZHVONNDMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-8-12(14)10(2)7-11(9)13-5-3-4-6-15-13/h7-8,13,15H,3-6,14H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-piperidin-2-ylaniline?
2,5-dimethyl-4-piperidin-2-ylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-piperidin-2-ylaniline is sourced from PubChem (CID 58255114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).