2-chloro-1-cyclobutyl-2-phenoxypiperidine

C15H20ClNO — CID 67105839

IUPAC2-chloro-1-cyclobutyl-2-phenoxypiperidine
SMILESClC1(Oc2ccccc2)CCCCN1C1CCC1
InChIInChI=1S/C15H20ClNO/c16-15(18-14-9-2-1-3-10-14)11-4-5-12-17(15)13-7-6-8-13/h1-3,9-10,13H,4-8,11-12H2
InChIKeyRGUMNFZBNCJHFW-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-1-cyclobutyl-2-phenoxypiperidine

2-chloro-1-cyclobutyl-2-phenoxypiperidine (PubChem CID 67105839) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-1-cyclobutyl-2-phenoxypiperidine.

Molecular Properties

Compound Name2-chloro-1-cyclobutyl-2-phenoxypiperidine
PubChem CID67105839
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-1-cyclobutyl-2-phenoxypiperidine
SMILESClC1(Oc2ccccc2)CCCCN1C1CCC1
InChIInChI=1S/C15H20ClNO/c16-15(18-14-9-2-1-3-10-14)11-4-5-12-17(15)13-7-6-8-13/h1-3,9-10,13H,4-8,11-12H2
InChIKeyRGUMNFZBNCJHFW-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-1-cyclobutyl-2-phenoxypiperidine 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 2-chloro-1-cyclobutyl-2-phenoxypiperidine?
The IUPAC name of 2-chloro-1-cyclobutyl-2-phenoxypiperidine (CID 67105839) is 2-chloro-1-cyclobutyl-2-phenoxypiperidine.
What is the SMILES notation for 2-chloro-1-cyclobutyl-2-phenoxypiperidine?
The canonical SMILES for 2-chloro-1-cyclobutyl-2-phenoxypiperidine is ClC1(Oc2ccccc2)CCCCN1C1CCC1.
What is the InChIKey of 2-chloro-1-cyclobutyl-2-phenoxypiperidine?
The InChIKey is RGUMNFZBNCJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-15(18-14-9-2-1-3-10-14)11-4-5-12-17(15)13-7-6-8-13/h1-3,9-10,13H,4-8,11-12H2.
What are the key properties of 2-chloro-1-cyclobutyl-2-phenoxypiperidine?
2-chloro-1-cyclobutyl-2-phenoxypiperidine has a molecular weight of 265.78 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclobutyl-2-phenoxypiperidine is sourced from PubChem (CID 67105839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).