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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
1-[4-[(6-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79038456
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
CID 79038510
3-amino-1-[(6-chloro-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324306
1-benzyl-4-[(6-chloro-2-pyridinyl)methyl]piperidin-4-ol
CID 51059263
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79039473
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 55166232
N-[[6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906516
[5-[(4,4-diethylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103060957

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).