4-(1-methoxyethenyl)-1-methylpiperidine;hydrate

C9H19NO2 — CID 162033756

IUPAC4-(1-methoxyethenyl)-1-methylpiperidine;hydrate
SMILESC=C(OC)C1CCN(C)CC1.O
InChIInChI=1S/C9H17NO.H2O/c1-8(11-3)9-4-6-10(2)7-5-9;/h9H,1,4-7H2,2-3H3;1H2
InChIKeyUGNCUCKEJKHIEH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.66
Rot. Bonds2

About 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate

4-(1-methoxyethenyl)-1-methylpiperidine;hydrate (PubChem CID 162033756) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate.

Molecular Properties

Compound Name4-(1-methoxyethenyl)-1-methylpiperidine;hydrate
PubChem CID162033756
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(1-methoxyethenyl)-1-methylpiperidine;hydrate
SMILESC=C(OC)C1CCN(C)CC1.O
InChIInChI=1S/C9H17NO.H2O/c1-8(11-3)9-4-6-10(2)7-5-9;/h9H,1,4-7H2,2-3H3;1H2
InChIKeyUGNCUCKEJKHIEH-UHFFFAOYSA-N
XLogP0.66
TPSA43.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate 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 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate?
The IUPAC name of 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate (CID 162033756) is 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate.
What is the SMILES notation for 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate?
The canonical SMILES for 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate is C=C(OC)C1CCN(C)CC1.O.
What is the InChIKey of 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate?
The InChIKey is UGNCUCKEJKHIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.H2O/c1-8(11-3)9-4-6-10(2)7-5-9;/h9H,1,4-7H2,2-3H3;1H2.
What are the key properties of 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate?
4-(1-methoxyethenyl)-1-methylpiperidine;hydrate has a molecular weight of 173.26 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)-1-methylpiperidine;hydrate is sourced from PubChem (CID 162033756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).