4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline

C17H28N2 — CID 62003228

IUPAC4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline
SMILESCCc1ccc(N(C)CCCC2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-8-10-17(11-9-15)19(2)13-5-7-16-6-4-12-18-14-16/h8-11,16,18H,3-7,12-14H2,1-2H3
InChIKeyGHHGUZXUFCUIAQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds6

About 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline

4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline (PubChem CID 62003228) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline
PubChem CID62003228
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline
SMILESCCc1ccc(N(C)CCCC2CCCNC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-8-10-17(11-9-15)19(2)13-5-7-16-6-4-12-18-14-16/h8-11,16,18H,3-7,12-14H2,1-2H3
InChIKeyGHHGUZXUFCUIAQ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline 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-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
N-(4-ethylphenyl)-N-methylpiperidine-3-carboxamide
CID 62002081
N-[3-(N-methylanilino)propyl]-2-piperidin-3-ylacetamide
CID 62691049
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
(3S)-3-heptylpiperidine
CID 155456188

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline?
The IUPAC name of 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline (CID 62003228) is 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline.
What is the SMILES notation for 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline?
The canonical SMILES for 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline is CCc1ccc(N(C)CCCC2CCCNC2)cc1.
What is the InChIKey of 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline?
The InChIKey is GHHGUZXUFCUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-8-10-17(11-9-15)19(2)13-5-7-16-6-4-12-18-14-16/h8-11,16,18H,3-7,12-14H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline?
4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(3-piperidin-3-ylpropyl)aniline is sourced from PubChem (CID 62003228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).