4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline

C15H24N2 — CID 91681118

IUPAC4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline
SMILESCCc1cc(N)ccc1N1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2/c1-4-13-8-14(16)5-6-15(13)17-9-11(2)7-12(3)10-17/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3
InChIKeyRYUGJRIWIXKJLO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.31
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline

4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline (PubChem CID 91681118) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline
PubChem CID91681118
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline
SMILESCCc1cc(N)ccc1N1CC(C)CC(C)C1
InChIInChI=1S/C15H24N2/c1-4-13-8-14(16)5-6-15(13)17-9-11(2)7-12(3)10-17/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3
InChIKeyRYUGJRIWIXKJLO-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308
5-amino-2-(3,5-dimethylpiperidin-1-yl)benzonitrile
CID 61283798
4-(2,6-dimethylpiperidin-1-yl)-3-ethylaniline
CID 91681120
5-amino-2-(3,5-dimethylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 103286576
(3S)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 100804800
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
4-methyl-3-(3-methylazetidin-1-yl)aniline
CID 79689322
5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
CID 28605520
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzamide
CID 100805211

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline (CID 91681118) is 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline is CCc1cc(N)ccc1N1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline?
The InChIKey is RYUGJRIWIXKJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13-8-14(16)5-6-15(13)17-9-11(2)7-12(3)10-17/h5-6,8,11-12H,4,7,9-10,16H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline?
4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-3-ethylaniline is sourced from PubChem (CID 91681118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).