3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine

C13H19ClN2O — CID 63971575

IUPAC3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
SMILESCOCC1CCN(c2ncccc2CCl)CC1
InChIInChI=1S/C13H19ClN2O/c1-17-10-11-4-7-16(8-5-11)13-12(9-14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3
InChIKeyNINMQVHDIHRSPD-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.68
Rot. Bonds4

About 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine

3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine (PubChem CID 63971575) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
PubChem CID63971575
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
SMILESCOCC1CCN(c2ncccc2CCl)CC1
InChIInChI=1S/C13H19ClN2O/c1-17-10-11-4-7-16(8-5-11)13-12(9-14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3
InChIKeyNINMQVHDIHRSPD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine (CID 63971575) is 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine is COCC1CCN(c2ncccc2CCl)CC1.
What is the InChIKey of 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine?
The InChIKey is NINMQVHDIHRSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-10-11-4-7-16(8-5-11)13-12(9-14)3-2-6-15-13/h2-3,6,11H,4-5,7-10H2,1H3.
What are the key properties of 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine?
3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine has a molecular weight of 254.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 63971575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).