4-chloro-1-(2-methoxyethyl)-3-methylpiperidine

C9H18ClNO — CID 114682183

IUPAC4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
SMILESCOCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C9H18ClNO/c1-8-7-11(5-6-12-2)4-3-9(8)10/h8-9H,3-7H2,1-2H3
InChIKeyBSLOLEIAWBLQPC-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.58
Rot. Bonds3

About 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine

4-chloro-1-(2-methoxyethyl)-3-methylpiperidine (PubChem CID 114682183) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
PubChem CID114682183
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
SMILESCOCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C9H18ClNO/c1-8-7-11(5-6-12-2)4-3-9(8)10/h8-9H,3-7H2,1-2H3
InChIKeyBSLOLEIAWBLQPC-UHFFFAOYSA-N
XLogP1.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine?
The IUPAC name of 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine (CID 114682183) is 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine.
What is the SMILES notation for 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine?
The canonical SMILES for 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine is COCCN1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine?
The InChIKey is BSLOLEIAWBLQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-8-7-11(5-6-12-2)4-3-9(8)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine?
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine has a molecular weight of 191.70 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxyethyl)-3-methylpiperidine is sourced from PubChem (CID 114682183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).