N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine

C10H18N2 — CID 123932561

IUPACN-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1CCN(CC)CC1
InChIInChI=1S/C10H18N2/c1-3-7-11-10-5-8-12(4-2)9-6-10/h3,7,10H,1,4-6,8-9H2,2H3/b11-7+
InChIKeyOGACFMAISGEBNP-YRNVUSSQSA-N
MW166.27 g/mol
LogP1.73
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine

N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine (PubChem CID 123932561) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
PubChem CID123932561
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1CCN(CC)CC1
InChIInChI=1S/C10H18N2/c1-3-7-11-10-5-8-12(4-2)9-6-10/h3,7,10H,1,4-6,8-9H2,2H3/b11-7+
InChIKeyOGACFMAISGEBNP-YRNVUSSQSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine 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,N-dimethyl-2-(1-methylpiperidin-4-yl)iminobut-3-en-1-amine
CID 91180569
N,N-dimethyl-1-[3-[(Z)-prop-1-enyl]iminopropyl]piperidin-4-amine
CID 134406137
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 143782130
3-(1-Methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153153367
ethane;(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153567217
1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104163
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine
CID 169104168
1-(Prop-2-en-1-ylidene)piperidin-1-ium
CID 71427214
1-[(E)-but-2-enylidene]piperidin-1-ium
CID 101234497

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine (CID 123932561) is N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine is C=C/C=N/C1CCN(CC)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?
The InChIKey is OGACFMAISGEBNP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-7-11-10-5-8-12(4-2)9-6-10/h3,7,10H,1,4-6,8-9H2,2H3/b11-7+.
What are the key properties of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?
N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123932561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).