2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine

C13H19ClN2O — CID 55069209

IUPAC2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
SMILESCCOC1CCN(Cc2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O/c1-2-17-12-4-7-16(8-5-12)10-11-3-6-15-13(14)9-11/h3,6,9,12H,2,4-5,7-8,10H2,1H3
InChIKeyNGZQNEXLXWHKTJ-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.74
Rot. Bonds4

About 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine

2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine (PubChem CID 55069209) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
PubChem CID55069209
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
SMILESCCOC1CCN(Cc2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O/c1-2-17-12-4-7-16(8-5-12)10-11-3-6-15-13(14)9-11/h3,6,9,12H,2,4-5,7-8,10H2,1H3
InChIKeyNGZQNEXLXWHKTJ-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(4-ethoxypiperidin-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-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
2-chloro-4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64569738
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
3,6-dichloro-2-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 62892140
(3S,4R)-1-[(2-chloro-4-pyridinyl)methyl]pyrrolidine-3,4-diol
CID 79410495
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
4-[(2-chloro-4-pyridinyl)methyl]-N-methylpiperazine-1-carboxamide
CID 58285194
2-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 115648053
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine (CID 55069209) is 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine is CCOC1CCN(Cc2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
The InChIKey is NGZQNEXLXWHKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-17-12-4-7-16(8-5-12)10-11-3-6-15-13(14)9-11/h3,6,9,12H,2,4-5,7-8,10H2,1H3.
What are the key properties of 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine?
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 55069209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).