2-methyl-4-(2-methylpiperidin-1-yl)aniline

C13H20N2 — CID 43384883

IUPAC2-methyl-4-(2-methylpiperidin-1-yl)aniline
SMILESCc1cc(N2CCCCC2C)ccc1N
InChIInChI=1S/C13H20N2/c1-10-9-12(6-7-13(10)14)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKeyTZGRJKIRIAWBQL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.96
Rot. Bonds1

About 2-methyl-4-(2-methylpiperidin-1-yl)aniline

2-methyl-4-(2-methylpiperidin-1-yl)aniline (PubChem CID 43384883) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(2-methylpiperidin-1-yl)aniline
PubChem CID43384883
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-4-(2-methylpiperidin-1-yl)aniline
SMILESCc1cc(N2CCCCC2C)ccc1N
InChIInChI=1S/C13H20N2/c1-10-9-12(6-7-13(10)14)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3
InChIKeyTZGRJKIRIAWBQL-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
4-[(2S)-2-methylpiperidin-1-yl]-2-(trifluoromethyl)aniline
CID 30048695
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
2-[1-(4-amino-3-methylphenyl)piperidin-2-yl]ethanol
CID 43436167
4-(2-methylazepan-1-yl)-2-propan-2-yloxyaniline
CID 83002820
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
5-[(2R)-2-methylpiperidin-1-yl]-2-methylsulfonylaniline
CID 86323809
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882558
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpiperidin-1-yl)aniline?
The IUPAC name of 2-methyl-4-(2-methylpiperidin-1-yl)aniline (CID 43384883) is 2-methyl-4-(2-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-methyl-4-(2-methylpiperidin-1-yl)aniline?
The canonical SMILES for 2-methyl-4-(2-methylpiperidin-1-yl)aniline is Cc1cc(N2CCCCC2C)ccc1N.
What is the InChIKey of 2-methyl-4-(2-methylpiperidin-1-yl)aniline?
The InChIKey is TZGRJKIRIAWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-9-12(6-7-13(10)14)15-8-4-3-5-11(15)2/h6-7,9,11H,3-5,8,14H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methylpiperidin-1-yl)aniline?
2-methyl-4-(2-methylpiperidin-1-yl)aniline has a molecular weight of 204.32 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 43384883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).