4-ethenyl-1-methylpiperidine;molecular hydrogen

C8H17N — CID 143787743

IUPAC4-ethenyl-1-methylpiperidine;molecular hydrogen
SMILESC=CC1CCN(C)CC1.[H][H]
InChIInChI=1S/C8H15N.H2/c1-3-8-4-6-9(2)7-5-8;/h3,8H,1,4-7H2,2H3;1H
InChIKeyZWHQRAFSLRDLBN-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.76
Rot. Bonds1

About 4-ethenyl-1-methylpiperidine;molecular hydrogen

4-ethenyl-1-methylpiperidine;molecular hydrogen (PubChem CID 143787743) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 4-ethenyl-1-methylpiperidine;molecular hydrogen.

Molecular Properties

Compound Name4-ethenyl-1-methylpiperidine;molecular hydrogen
PubChem CID143787743
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name4-ethenyl-1-methylpiperidine;molecular hydrogen
SMILESC=CC1CCN(C)CC1.[H][H]
InChIInChI=1S/C8H15N.H2/c1-3-8-4-6-9(2)7-5-8;/h3,8H,1,4-7H2,2H3;1H
InChIKeyZWHQRAFSLRDLBN-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethenyl-1-methylpiperidine;molecular hydrogen 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

4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659
(3S)-3-ethenyl-1-methylpyrrolidine
CID 134577901
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 170617106
1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
4-ethenyl-1-ethylpiperidine;hydrobromide
CID 175127367
1-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
1-ethenyl-4-prop-1-en-2-ylcyclohexane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 176683518
4-ethenyl-1-(2-methylpropyl)piperidine
CID 138457613
1-methylazepane-4-carbaldehyde
CID 82418035
1-methyl-4-[(3E)-penta-1,3-dien-3-yl]piperidine
CID 142926355
1-methylpyrrolidine-3-carbaldehyde
CID 19841633
1,3-bis(ethenyl)pyrrolidine
CID 121376426

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-methylpiperidine;molecular hydrogen?
The IUPAC name of 4-ethenyl-1-methylpiperidine;molecular hydrogen (CID 143787743) is 4-ethenyl-1-methylpiperidine;molecular hydrogen.
What is the SMILES notation for 4-ethenyl-1-methylpiperidine;molecular hydrogen?
The canonical SMILES for 4-ethenyl-1-methylpiperidine;molecular hydrogen is C=CC1CCN(C)CC1.[H][H].
What is the InChIKey of 4-ethenyl-1-methylpiperidine;molecular hydrogen?
The InChIKey is ZWHQRAFSLRDLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.H2/c1-3-8-4-6-9(2)7-5-8;/h3,8H,1,4-7H2,2H3;1H.
What are the key properties of 4-ethenyl-1-methylpiperidine;molecular hydrogen?
4-ethenyl-1-methylpiperidine;molecular hydrogen has a molecular weight of 127.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-methylpiperidine;molecular hydrogen is sourced from PubChem (CID 143787743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).