N,N-dimethyl-2-piperidin-4-ylideneethanamine

C9H18N2 — CID 45088386

IUPACN,N-dimethyl-2-piperidin-4-ylideneethanamine
SMILESCN(C)CC=C1CCNCC1
InChIInChI=1S/C9H18N2/c1-11(2)8-5-9-3-6-10-7-4-9/h5,10H,3-4,6-8H2,1-2H3
InChIKeyRBYXUVUGEQUJRE-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About N,N-dimethyl-2-piperidin-4-ylideneethanamine

N,N-dimethyl-2-piperidin-4-ylideneethanamine (PubChem CID 45088386) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N-dimethyl-2-piperidin-4-ylideneethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-piperidin-4-ylideneethanamine
PubChem CID45088386
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N-dimethyl-2-piperidin-4-ylideneethanamine
SMILESCN(C)CC=C1CCNCC1
InChIInChI=1S/C9H18N2/c1-11(2)8-5-9-3-6-10-7-4-9/h5,10H,3-4,6-8H2,1-2H3
InChIKeyRBYXUVUGEQUJRE-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-piperidin-4-ylideneethanamine 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,N-dimethyl-2-piperidin-4-ylideneethanamine?
The IUPAC name of N,N-dimethyl-2-piperidin-4-ylideneethanamine (CID 45088386) is N,N-dimethyl-2-piperidin-4-ylideneethanamine.
What is the SMILES notation for N,N-dimethyl-2-piperidin-4-ylideneethanamine?
The canonical SMILES for N,N-dimethyl-2-piperidin-4-ylideneethanamine is CN(C)CC=C1CCNCC1.
What is the InChIKey of N,N-dimethyl-2-piperidin-4-ylideneethanamine?
The InChIKey is RBYXUVUGEQUJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11(2)8-5-9-3-6-10-7-4-9/h5,10H,3-4,6-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-piperidin-4-ylideneethanamine?
N,N-dimethyl-2-piperidin-4-ylideneethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperidin-4-ylideneethanamine is sourced from PubChem (CID 45088386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).