2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline

C15H24N2 — CID 62496588

IUPAC2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCc2ccccc2N)C(C)C1
InChIInChI=1S/C15H24N2/c1-12-7-9-17(13(2)11-12)10-8-14-5-3-4-6-15(14)16/h3-6,12-13H,7-11,16H2,1-2H3
InChIKeyAHWATYZTFUQUBC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.93
Rot. Bonds3

About 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline

2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline (PubChem CID 62496588) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
PubChem CID62496588
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCc2ccccc2N)C(C)C1
InChIInChI=1S/C15H24N2/c1-12-7-9-17(13(2)11-12)10-8-14-5-3-4-6-15(14)16/h3-6,12-13H,7-11,16H2,1-2H3
InChIKeyAHWATYZTFUQUBC-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.93
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-[2-(3-methylpyrrolidin-1-yl)ethyl]aniline
CID 62497247
2-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]aniline
CID 62495237
2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]aniline
CID 55079205
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582479
1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302788
2-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-3-amine
CID 104740020
2-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]aniline
CID 107274621
[4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 103441931
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
1-[2-(2-aminophenyl)ethyl]piperidin-4-ol
CID 62495896
2-[(2,4-dimethylpiperidin-1-yl)methyl]-4-nitroaniline
CID 62332198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline (CID 62496588) is 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline is CC1CCN(CCc2ccccc2N)C(C)C1.
What is the InChIKey of 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline?
The InChIKey is AHWATYZTFUQUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-7-9-17(13(2)11-12)10-8-14-5-3-4-6-15(14)16/h3-6,12-13H,7-11,16H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline?
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 62496588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).