chloro-methoxy-piperidin-1-ylphosphane

C6H13ClNOP — CID 86118240

IUPACchloro-methoxy-piperidin-1-ylphosphane
SMILESCOP(Cl)N1CCCCC1
InChIInChI=1S/C6H13ClNOP/c1-9-10(7)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyGUSQOWVBKZIWOW-UHFFFAOYSA-N
MW181.60 g/mol
LogP2.58
Rot. Bonds2

About chloro-methoxy-piperidin-1-ylphosphane

chloro-methoxy-piperidin-1-ylphosphane (PubChem CID 86118240) has the molecular formula C6H13ClNOP and a molecular weight of 181.60 g/mol. Its IUPAC name is chloro-methoxy-piperidin-1-ylphosphane.

Molecular Properties

Compound Namechloro-methoxy-piperidin-1-ylphosphane
PubChem CID86118240
Molecular FormulaC6H13ClNOP
Molecular Weight181.60 g/mol
Exact Mass181.04
IUPAC Namechloro-methoxy-piperidin-1-ylphosphane
SMILESCOP(Cl)N1CCCCC1
InChIInChI=1S/C6H13ClNOP/c1-9-10(7)8-5-3-2-4-6-8/h2-6H2,1H3
InChIKeyGUSQOWVBKZIWOW-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-methoxy-piperidin-1-ylphosphane 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

Dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
CID 14090187
Phosphinic acid, 1-piperidinyl-, methyl ester
CID 11084204

Frequently Asked Questions

What is the IUPAC name of chloro-methoxy-piperidin-1-ylphosphane?
The IUPAC name of chloro-methoxy-piperidin-1-ylphosphane (CID 86118240) is chloro-methoxy-piperidin-1-ylphosphane.
What is the SMILES notation for chloro-methoxy-piperidin-1-ylphosphane?
The canonical SMILES for chloro-methoxy-piperidin-1-ylphosphane is COP(Cl)N1CCCCC1.
What is the InChIKey of chloro-methoxy-piperidin-1-ylphosphane?
The InChIKey is GUSQOWVBKZIWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClNOP/c1-9-10(7)8-5-3-2-4-6-8/h2-6H2,1H3.
What are the key properties of chloro-methoxy-piperidin-1-ylphosphane?
chloro-methoxy-piperidin-1-ylphosphane has a molecular weight of 181.60 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methoxy-piperidin-1-ylphosphane is sourced from PubChem (CID 86118240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).