3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine

C13H18Cl2N2 — CID 62331827

IUPAC3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ncc(CCl)cc2Cl)C(C)C1
InChIInChI=1S/C13H18Cl2N2/c1-9-3-4-17(10(2)5-9)13-12(15)6-11(7-14)8-16-13/h6,8-10H,3-5,7H2,1-2H3
InChIKeyCGZPCWBCQGPVLY-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.10
Rot. Bonds2

About 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine

3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine (PubChem CID 62331827) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
PubChem CID62331827
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
SMILESCC1CCN(c2ncc(CCl)cc2Cl)C(C)C1
InChIInChI=1S/C13H18Cl2N2/c1-9-3-4-17(10(2)5-9)13-12(15)6-11(7-14)8-16-13/h6,8-10H,3-5,7H2,1-2H3
InChIKeyCGZPCWBCQGPVLY-UHFFFAOYSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.10
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

[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62330220
[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80636143
5-bromo-3-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
CID 55061469
N-[[6-(2,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636282
2-chloro-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
5-bromo-2-(2,4-dimethylpiperidin-1-yl)-3-fluoropyridine
CID 104924417
4-[3-chloro-5-(chloromethyl)-2-pyridinyl]-2-ethyl-1-methylpiperazine
CID 63634317
N-[[5-chloro-6-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55055019
[5-chloro-6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62300014
5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
CID 83184496
2-[4-[3-chloro-5-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255318
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine (CID 62331827) is 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine is CC1CCN(c2ncc(CCl)cc2Cl)C(C)C1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine?
The InChIKey is CGZPCWBCQGPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-3-4-17(10(2)5-9)13-12(15)6-11(7-14)8-16-13/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine?
3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine has a molecular weight of 273.21 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 62331827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).