4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine

C14H21ClN2 — CID 83062355

IUPAC4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
SMILESCCCC1CCCCN1c1cc(CCl)ccn1
InChIInChI=1S/C14H21ClN2/c1-2-5-13-6-3-4-9-17(13)14-10-12(11-15)7-8-16-14/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyAAPSBJSHOMSCHK-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.98
Rot. Bonds4

About 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine

4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine (PubChem CID 83062355) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
PubChem CID83062355
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
SMILESCCCC1CCCCN1c1cc(CCl)ccn1
InChIInChI=1S/C14H21ClN2/c1-2-5-13-6-3-4-9-17(13)14-10-12(11-15)7-8-16-14/h7-8,10,13H,2-6,9,11H2,1H3
InChIKeyAAPSBJSHOMSCHK-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128
1-[2-(2-ethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 55054433
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
CID 113380643
2-(chloromethyl)-6-(2-propylpiperidin-1-yl)pyrazine
CID 83062274
2-bromo-6-(2-propylpiperidin-1-yl)pyridine
CID 83056141
2-[2-(2-bromoethyl)pyrrolidin-1-yl]-4-methylpyridine
CID 130534011
4-[2-(2-chloroethyl)piperidin-1-yl]-6-propoxypyrimidine
CID 66333215
4-methyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056730
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
CID 104690178
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine (CID 83062355) is 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine is CCCC1CCCCN1c1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine?
The InChIKey is AAPSBJSHOMSCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-5-13-6-3-4-9-17(13)14-10-12(11-15)7-8-16-14/h7-8,10,13H,2-6,9,11H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine?
4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine has a molecular weight of 252.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine is sourced from PubChem (CID 83062355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).