3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine

C15H23ClN2 — CID 63159282

IUPAC3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
SMILESCCC1(CC)CCN(c2ncccc2CCl)CC1
InChIInChI=1S/C15H23ClN2/c1-3-15(4-2)7-10-18(11-8-15)14-13(12-16)6-5-9-17-14/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyDYLSFVILCIOMEM-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.23
Rot. Bonds4

About 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine

3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine (PubChem CID 63159282) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
PubChem CID63159282
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
SMILESCCC1(CC)CCN(c2ncccc2CCl)CC1
InChIInChI=1S/C15H23ClN2/c1-3-15(4-2)7-10-18(11-8-15)14-13(12-16)6-5-9-17-14/h5-6,9H,3-4,7-8,10-12H2,1-2H3
InChIKeyDYLSFVILCIOMEM-UHFFFAOYSA-N
XLogP4.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.23
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-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine (CID 63159282) is 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine is CCC1(CC)CCN(c2ncccc2CCl)CC1.
What is the InChIKey of 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine?
The InChIKey is DYLSFVILCIOMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-15(4-2)7-10-18(11-8-15)14-13(12-16)6-5-9-17-14/h5-6,9H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine?
3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine has a molecular weight of 266.82 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 63159282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).