N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine

C20H30N2 — CID 10149527

IUPACN-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(C#CCCN2CCCCC2)cc1
InChIInChI=1S/C20H30N2/c1-3-21(4-2)18-20-13-11-19(12-14-20)10-6-9-17-22-15-7-5-8-16-22/h11-14H,3-5,7-9,15-18H2,1-2H3
InChIKeyUTXXQPKHMURRBG-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine (PubChem CID 10149527) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine
PubChem CID10149527
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(C#CCCN2CCCCC2)cc1
InChIInChI=1S/C20H30N2/c1-3-21(4-2)18-20-13-11-19(12-14-20)10-6-9-17-22-15-7-5-8-16-22/h11-14H,3-5,7-9,15-18H2,1-2H3
InChIKeyUTXXQPKHMURRBG-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine 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 N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine (CID 10149527) is N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(C#CCCN2CCCCC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine?
The InChIKey is UTXXQPKHMURRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-21(4-2)18-20-13-11-19(12-14-20)10-6-9-17-22-15-7-5-8-16-22/h11-14H,3-5,7-9,15-18H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine has a molecular weight of 298.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 10149527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).