4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline

C18H31N3 — CID 63157411

IUPAC4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
SMILESCCC1(C)CCN(C(CN)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-5-18(2)10-12-21(13-11-18)17(14-19)15-6-8-16(9-7-15)20(3)4/h6-9,17H,5,10-14,19H2,1-4H3
InChIKeyYXFXXBRELIMFQK-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.26
Rot. Bonds5

About 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline

4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline (PubChem CID 63157411) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
PubChem CID63157411
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
SMILESCCC1(C)CCN(C(CN)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-5-18(2)10-12-21(13-11-18)17(14-19)15-6-8-16(9-7-15)20(3)4/h6-9,17H,5,10-14,19H2,1-4H3
InChIKeyYXFXXBRELIMFQK-UHFFFAOYSA-N
XLogP3.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline (CID 63157411) is 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline is CCC1(C)CCN(C(CN)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline?
The InChIKey is YXFXXBRELIMFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-18(2)10-12-21(13-11-18)17(14-19)15-6-8-16(9-7-15)20(3)4/h6-9,17H,5,10-14,19H2,1-4H3.
What are the key properties of 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline?
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline has a molecular weight of 289.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 63157411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).