3-chloro-1-(2-methoxyethyl)piperidine

C8H16ClNO — CID 63386779

IUPAC3-chloro-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCC(Cl)C1
InChIInChI=1S/C8H16ClNO/c1-11-6-5-10-4-2-3-8(9)7-10/h8H,2-7H2,1H3
InChIKeyMGPKNNFMZDFZBU-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.34
Rot. Bonds3

About 3-chloro-1-(2-methoxyethyl)piperidine

3-chloro-1-(2-methoxyethyl)piperidine (PubChem CID 63386779) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-chloro-1-(2-methoxyethyl)piperidine.

Molecular Properties

Compound Name3-chloro-1-(2-methoxyethyl)piperidine
PubChem CID63386779
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-chloro-1-(2-methoxyethyl)piperidine
SMILESCOCCN1CCCC(Cl)C1
InChIInChI=1S/C8H16ClNO/c1-11-6-5-10-4-2-3-8(9)7-10/h8H,2-7H2,1H3
InChIKeyMGPKNNFMZDFZBU-UHFFFAOYSA-N
XLogP1.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.34
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 3-chloro-1-(2-methoxyethyl)piperidine?
The IUPAC name of 3-chloro-1-(2-methoxyethyl)piperidine (CID 63386779) is 3-chloro-1-(2-methoxyethyl)piperidine.
What is the SMILES notation for 3-chloro-1-(2-methoxyethyl)piperidine?
The canonical SMILES for 3-chloro-1-(2-methoxyethyl)piperidine is COCCN1CCCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(2-methoxyethyl)piperidine?
The InChIKey is MGPKNNFMZDFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-11-6-5-10-4-2-3-8(9)7-10/h8H,2-7H2,1H3.
What are the key properties of 3-chloro-1-(2-methoxyethyl)piperidine?
3-chloro-1-(2-methoxyethyl)piperidine has a molecular weight of 177.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methoxyethyl)piperidine is sourced from PubChem (CID 63386779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).