4-(3-ethylpiperidin-1-yl)-3-methylaniline

C14H22N2 — CID 43584157

IUPAC4-(3-ethylpiperidin-1-yl)-3-methylaniline
SMILESCCC1CCCN(c2ccc(N)cc2C)C1
InChIInChI=1S/C14H22N2/c1-3-12-5-4-8-16(10-12)14-7-6-13(15)9-11(14)2/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeyFKHOKHIUHFTSPP-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds2

About 4-(3-ethylpiperidin-1-yl)-3-methylaniline

4-(3-ethylpiperidin-1-yl)-3-methylaniline (PubChem CID 43584157) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-3-methylaniline
PubChem CID43584157
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-(3-ethylpiperidin-1-yl)-3-methylaniline
SMILESCCC1CCCN(c2ccc(N)cc2C)C1
InChIInChI=1S/C14H22N2/c1-3-12-5-4-8-16(10-12)14-7-6-13(15)9-11(14)2/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeyFKHOKHIUHFTSPP-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.20
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-ethylpiperidin-1-yl)-3-methylaniline 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-ethylpiperidin-1-yl)aniline
CID 43584200
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
4-amino-3-(3-ethylpiperidin-1-yl)benzonitrile
CID 113444119
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43584159
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
CID 62135363
6-(3-ethylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 79173430
1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-3-methylaniline?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-3-methylaniline (CID 43584157) is 4-(3-ethylpiperidin-1-yl)-3-methylaniline.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-3-methylaniline?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-3-methylaniline is CCC1CCCN(c2ccc(N)cc2C)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-3-methylaniline?
The InChIKey is FKHOKHIUHFTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-5-4-8-16(10-12)14-7-6-13(15)9-11(14)2/h6-7,9,12H,3-5,8,10,15H2,1-2H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)-3-methylaniline?
4-(3-ethylpiperidin-1-yl)-3-methylaniline has a molecular weight of 218.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-3-methylaniline is sourced from PubChem (CID 43584157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).