1-cycloprop-2-en-1-yl-4-methoxypiperidine

C9H15NO — CID 138612855

IUPAC1-cycloprop-2-en-1-yl-4-methoxypiperidine
SMILESCOC1CCN(C2C=C2)CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-6-10(7-5-9)8-2-3-8/h2-3,8-9H,4-7H2,1H3
InChIKeyAOLFCFJYEKZXCF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.04
Rot. Bonds2

About 1-cycloprop-2-en-1-yl-4-methoxypiperidine

1-cycloprop-2-en-1-yl-4-methoxypiperidine (PubChem CID 138612855) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-cycloprop-2-en-1-yl-4-methoxypiperidine.

Molecular Properties

Compound Name1-cycloprop-2-en-1-yl-4-methoxypiperidine
PubChem CID138612855
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-cycloprop-2-en-1-yl-4-methoxypiperidine
SMILESCOC1CCN(C2C=C2)CC1
InChIInChI=1S/C9H15NO/c1-11-9-4-6-10(7-5-9)8-2-3-8/h2-3,8-9H,4-7H2,1H3
InChIKeyAOLFCFJYEKZXCF-UHFFFAOYSA-N
XLogP1.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cycloprop-2-en-1-yl-4-methoxypiperidine 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 1-cycloprop-2-en-1-yl-4-methoxypiperidine?
The IUPAC name of 1-cycloprop-2-en-1-yl-4-methoxypiperidine (CID 138612855) is 1-cycloprop-2-en-1-yl-4-methoxypiperidine.
What is the SMILES notation for 1-cycloprop-2-en-1-yl-4-methoxypiperidine?
The canonical SMILES for 1-cycloprop-2-en-1-yl-4-methoxypiperidine is COC1CCN(C2C=C2)CC1.
What is the InChIKey of 1-cycloprop-2-en-1-yl-4-methoxypiperidine?
The InChIKey is AOLFCFJYEKZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9-4-6-10(7-5-9)8-2-3-8/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-cycloprop-2-en-1-yl-4-methoxypiperidine?
1-cycloprop-2-en-1-yl-4-methoxypiperidine has a molecular weight of 153.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloprop-2-en-1-yl-4-methoxypiperidine is sourced from PubChem (CID 138612855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).