1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine

C17H21NO — CID 101456771

IUPAC1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine
SMILESCOc1ccc(C#CC2(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H21NO/c1-19-16-7-5-15(6-8-16)9-10-17(11-12-17)18-13-3-2-4-14-18/h5-8H,2-4,11-14H2,1H3
InChIKeyBFBCFXLQDSOOQE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.07
Rot. Bonds2

About 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine

1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine (PubChem CID 101456771) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine
PubChem CID101456771
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine
SMILESCOc1ccc(C#CC2(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H21NO/c1-19-16-7-5-15(6-8-16)9-10-17(11-12-17)18-13-3-2-4-14-18/h5-8H,2-4,11-14H2,1H3
InChIKeyBFBCFXLQDSOOQE-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine 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-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine?
The IUPAC name of 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine (CID 101456771) is 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine?
The canonical SMILES for 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine is COc1ccc(C#CC2(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine?
The InChIKey is BFBCFXLQDSOOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-19-16-7-5-15(6-8-16)9-10-17(11-12-17)18-13-3-2-4-14-18/h5-8H,2-4,11-14H2,1H3.
What are the key properties of 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine?
1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine has a molecular weight of 255.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine is sourced from PubChem (CID 101456771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).