2-(3-chloroprop-2-enoxymethyl)piperidine

C9H16ClNO — CID 76940248

IUPAC2-(3-chloroprop-2-enoxymethyl)piperidine
SMILESClC=CCOCC1CCCCN1
InChIInChI=1S/C9H16ClNO/c10-5-3-7-12-8-9-4-1-2-6-11-9/h3,5,9,11H,1-2,4,6-8H2
InChIKeyLKAFRYQTBZPQSY-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.90
Rot. Bonds4

About 2-(3-chloroprop-2-enoxymethyl)piperidine

2-(3-chloroprop-2-enoxymethyl)piperidine (PubChem CID 76940248) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-(3-chloroprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name2-(3-chloroprop-2-enoxymethyl)piperidine
PubChem CID76940248
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-(3-chloroprop-2-enoxymethyl)piperidine
SMILESClC=CCOCC1CCCCN1
InChIInChI=1S/C9H16ClNO/c10-5-3-7-12-8-9-4-1-2-6-11-9/h3,5,9,11H,1-2,4,6-8H2
InChIKeyLKAFRYQTBZPQSY-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-2-enoxymethyl)piperidine?
The IUPAC name of 2-(3-chloroprop-2-enoxymethyl)piperidine (CID 76940248) is 2-(3-chloroprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 2-(3-chloroprop-2-enoxymethyl)piperidine?
The canonical SMILES for 2-(3-chloroprop-2-enoxymethyl)piperidine is ClC=CCOCC1CCCCN1.
What is the InChIKey of 2-(3-chloroprop-2-enoxymethyl)piperidine?
The InChIKey is LKAFRYQTBZPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-5-3-7-12-8-9-4-1-2-6-11-9/h3,5,9,11H,1-2,4,6-8H2.
What are the key properties of 2-(3-chloroprop-2-enoxymethyl)piperidine?
2-(3-chloroprop-2-enoxymethyl)piperidine has a molecular weight of 189.69 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 76940248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).