4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline

C18H31N3 — CID 80550513

IUPAC4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
SMILESCCNCC1CCN(C(C)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-5-19-14-16-10-12-21(13-11-16)15(2)17-6-8-18(9-7-17)20(3)4/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyYKPFWVFGPDYZLI-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.14
Rot. Bonds6

About 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline

4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline (PubChem CID 80550513) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
PubChem CID80550513
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline
SMILESCCNCC1CCN(C(C)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C18H31N3/c1-5-19-14-16-10-12-21(13-11-16)15(2)17-6-8-18(9-7-17)20(3)4/h6-9,15-16,19H,5,10-14H2,1-4H3
InChIKeyYKPFWVFGPDYZLI-UHFFFAOYSA-N
XLogP3.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.14
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-[1-[4-(ethylaminomethyl)piperidin-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

Related Compounds

N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
N-[[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80551539
N-[[1-[1-(5-ethylthiophen-2-yl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550991

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline (CID 80550513) is 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline is CCNCC1CCN(C(C)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline?
The InChIKey is YKPFWVFGPDYZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-19-14-16-10-12-21(13-11-16)15(2)17-6-8-18(9-7-17)20(3)4/h6-9,15-16,19H,5,10-14H2,1-4H3.
What are the key properties of 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline?
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline has a molecular weight of 289.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 80550513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).