2-methyl-3-(3-methylpiperidin-1-yl)aniline

C13H20N2 — CID 63076229

IUPAC2-methyl-3-(3-methylpiperidin-1-yl)aniline
SMILESCc1c(N)cccc1N1CCCC(C)C1
InChIInChI=1S/C13H20N2/c1-10-5-4-8-15(9-10)13-7-3-6-12(14)11(13)2/h3,6-7,10H,4-5,8-9,14H2,1-2H3
InChIKeyXUWXCXSZLWVYFY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.81
Rot. Bonds1

About 2-methyl-3-(3-methylpiperidin-1-yl)aniline

2-methyl-3-(3-methylpiperidin-1-yl)aniline (PubChem CID 63076229) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(3-methylpiperidin-1-yl)aniline
PubChem CID63076229
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-3-(3-methylpiperidin-1-yl)aniline
SMILESCc1c(N)cccc1N1CCCC(C)C1
InChIInChI=1S/C13H20N2/c1-10-5-4-8-15(9-10)13-7-3-6-12(14)11(13)2/h3,6-7,10H,4-5,8-9,14H2,1-2H3
InChIKeyXUWXCXSZLWVYFY-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 55159356
1-(3-amino-2-methylphenyl)pyrrolidine-3,4-diol
CID 106667572
2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
3-(4-cyclopropylpiperazin-1-yl)-2-methylaniline
CID 55147181
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
3-amino-2-(3-methylpiperidin-1-yl)benzoic acid
CID 112577649
1-[3-chloro-2-(chloromethyl)phenyl]-3-methylpiperidine
CID 43121145
1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine
CID 82021402
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
[3-(3-methylpiperidin-1-yl)-2-nitrophenyl]hydrazine
CID 80927463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)aniline?
The IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)aniline (CID 63076229) is 2-methyl-3-(3-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-methyl-3-(3-methylpiperidin-1-yl)aniline?
The canonical SMILES for 2-methyl-3-(3-methylpiperidin-1-yl)aniline is Cc1c(N)cccc1N1CCCC(C)C1.
What is the InChIKey of 2-methyl-3-(3-methylpiperidin-1-yl)aniline?
The InChIKey is XUWXCXSZLWVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-5-4-8-15(9-10)13-7-3-6-12(14)11(13)2/h3,6-7,10H,4-5,8-9,14H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylpiperidin-1-yl)aniline?
2-methyl-3-(3-methylpiperidin-1-yl)aniline has a molecular weight of 204.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 63076229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).