2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine

C15H23ClN2 — CID 79240655

IUPAC2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine
SMILESCCC1(CC)CCN(Cc2cccc(Cl)n2)CC1
InChIInChI=1S/C15H23ClN2/c1-3-15(4-2)8-10-18(11-9-15)12-13-6-5-7-14(16)17-13/h5-7H,3-4,8-12H2,1-2H3
InChIKeyOFAPEBKDUKNJBI-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.14
Rot. Bonds4

About 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine

2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine (PubChem CID 79240655) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine
PubChem CID79240655
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine
SMILESCCC1(CC)CCN(Cc2cccc(Cl)n2)CC1
InChIInChI=1S/C15H23ClN2/c1-3-15(4-2)8-10-18(11-9-15)12-13-6-5-7-14(16)17-13/h5-7H,3-4,8-12H2,1-2H3
InChIKeyOFAPEBKDUKNJBI-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine (CID 79240655) is 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine is CCC1(CC)CCN(Cc2cccc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine?
The InChIKey is OFAPEBKDUKNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-15(4-2)8-10-18(11-9-15)12-13-6-5-7-14(16)17-13/h5-7H,3-4,8-12H2,1-2H3.
What are the key properties of 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine?
2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine has a molecular weight of 266.82 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 79240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).