3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine

C14H20Cl2N2 — CID 63159235

IUPAC3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
SMILESCCC1(C)CCN(c2ncc(CCl)cc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-3-14(2)4-6-18(7-5-14)13-12(16)8-11(9-15)10-17-13/h8,10H,3-7,9H2,1-2H3
InChIKeyRQOVQFDOCXPFAO-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.49
Rot. Bonds3

About 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine

3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine (PubChem CID 63159235) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
PubChem CID63159235
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
SMILESCCC1(C)CCN(c2ncc(CCl)cc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-3-14(2)4-6-18(7-5-14)13-12(16)8-11(9-15)10-17-13/h8,10H,3-7,9H2,1-2H3
InChIKeyRQOVQFDOCXPFAO-UHFFFAOYSA-N
XLogP4.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.49
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-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine (CID 63159235) is 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine is CCC1(C)CCN(c2ncc(CCl)cc2Cl)CC1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
The InChIKey is RQOVQFDOCXPFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-3-14(2)4-6-18(7-5-14)13-12(16)8-11(9-15)10-17-13/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine?
3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine has a molecular weight of 287.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 63159235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).