5-chloro-2-methoxy-3-methylidenepiperidine

C7H12ClNO — CID 123904209

IUPAC5-chloro-2-methoxy-3-methylidenepiperidine
SMILESC=C1CC(Cl)CNC1OC
InChIInChI=1S/C7H12ClNO/c1-5-3-6(8)4-9-7(5)10-2/h6-7,9H,1,3-4H2,2H3
InChIKeyPWLLGXCCGMSXBY-UHFFFAOYSA-N
MW161.63 g/mol
LogP1.12
Rot. Bonds1

About 5-chloro-2-methoxy-3-methylidenepiperidine

5-chloro-2-methoxy-3-methylidenepiperidine (PubChem CID 123904209) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-methylidenepiperidine.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-methylidenepiperidine
PubChem CID123904209
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name5-chloro-2-methoxy-3-methylidenepiperidine
SMILESC=C1CC(Cl)CNC1OC
InChIInChI=1S/C7H12ClNO/c1-5-3-6(8)4-9-7(5)10-2/h6-7,9H,1,3-4H2,2H3
InChIKeyPWLLGXCCGMSXBY-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-methylidenepiperidine?
The IUPAC name of 5-chloro-2-methoxy-3-methylidenepiperidine (CID 123904209) is 5-chloro-2-methoxy-3-methylidenepiperidine.
What is the SMILES notation for 5-chloro-2-methoxy-3-methylidenepiperidine?
The canonical SMILES for 5-chloro-2-methoxy-3-methylidenepiperidine is C=C1CC(Cl)CNC1OC.
What is the InChIKey of 5-chloro-2-methoxy-3-methylidenepiperidine?
The InChIKey is PWLLGXCCGMSXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5-3-6(8)4-9-7(5)10-2/h6-7,9H,1,3-4H2,2H3.
What are the key properties of 5-chloro-2-methoxy-3-methylidenepiperidine?
5-chloro-2-methoxy-3-methylidenepiperidine has a molecular weight of 161.63 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-methylidenepiperidine is sourced from PubChem (CID 123904209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).