1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine

C12H23ClNO4P — CID 10267486

IUPAC1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine
SMILESCC1(C)OCC(CCOP(=O)(Cl)N2CCCCC2)O1
InChIInChI=1S/C12H23ClNO4P/c1-12(2)16-10-11(18-12)6-9-17-19(13,15)14-7-4-3-5-8-14/h11H,3-10H2,1-2H3
InChIKeyAPEFRFAZCOHJEW-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.38
Rot. Bonds5

About 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine

1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine (PubChem CID 10267486) has the molecular formula C12H23ClNO4P and a molecular weight of 311.75 g/mol. Its IUPAC name is 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine.

Molecular Properties

Compound Name1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine
PubChem CID10267486
Molecular FormulaC12H23ClNO4P
Molecular Weight311.75 g/mol
Exact Mass311.11
IUPAC Name1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine
SMILESCC1(C)OCC(CCOP(=O)(Cl)N2CCCCC2)O1
InChIInChI=1S/C12H23ClNO4P/c1-12(2)16-10-11(18-12)6-9-17-19(13,15)14-7-4-3-5-8-14/h11H,3-10H2,1-2H3
InChIKeyAPEFRFAZCOHJEW-UHFFFAOYSA-N
XLogP3.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine?
The IUPAC name of 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine (CID 10267486) is 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine.
What is the SMILES notation for 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine?
The canonical SMILES for 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine is CC1(C)OCC(CCOP(=O)(Cl)N2CCCCC2)O1.
What is the InChIKey of 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine?
The InChIKey is APEFRFAZCOHJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClNO4P/c1-12(2)16-10-11(18-12)6-9-17-19(13,15)14-7-4-3-5-8-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine?
1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine has a molecular weight of 311.75 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phosphoryl]piperidine is sourced from PubChem (CID 10267486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).