4-(3-chloroprop-2-enoxymethyl)piperidine

C9H16ClNO — CID 76940247

IUPAC4-(3-chloroprop-2-enoxymethyl)piperidine
SMILESClC=CCOCC1CCNCC1
InChIInChI=1S/C9H16ClNO/c10-4-1-7-12-8-9-2-5-11-6-3-9/h1,4,9,11H,2-3,5-8H2
InChIKeyAEQKTULQFWRPHD-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.76
Rot. Bonds4

About 4-(3-chloroprop-2-enoxymethyl)piperidine

4-(3-chloroprop-2-enoxymethyl)piperidine (PubChem CID 76940247) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-(3-chloroprop-2-enoxymethyl)piperidine.

Molecular Properties

Compound Name4-(3-chloroprop-2-enoxymethyl)piperidine
PubChem CID76940247
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-(3-chloroprop-2-enoxymethyl)piperidine
SMILESClC=CCOCC1CCNCC1
InChIInChI=1S/C9H16ClNO/c10-4-1-7-12-8-9-2-5-11-6-3-9/h1,4,9,11H,2-3,5-8H2
InChIKeyAEQKTULQFWRPHD-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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 4-(3-chloroprop-2-enoxymethyl)piperidine?
The IUPAC name of 4-(3-chloroprop-2-enoxymethyl)piperidine (CID 76940247) is 4-(3-chloroprop-2-enoxymethyl)piperidine.
What is the SMILES notation for 4-(3-chloroprop-2-enoxymethyl)piperidine?
The canonical SMILES for 4-(3-chloroprop-2-enoxymethyl)piperidine is ClC=CCOCC1CCNCC1.
What is the InChIKey of 4-(3-chloroprop-2-enoxymethyl)piperidine?
The InChIKey is AEQKTULQFWRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-4-1-7-12-8-9-2-5-11-6-3-9/h1,4,9,11H,2-3,5-8H2.
What are the key properties of 4-(3-chloroprop-2-enoxymethyl)piperidine?
4-(3-chloroprop-2-enoxymethyl)piperidine has a molecular weight of 189.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-2-enoxymethyl)piperidine is sourced from PubChem (CID 76940247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).