3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine

C13H18Cl2N2 — CID 62891492

IUPAC3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCN(Cc2nc(Cl)ccc2Cl)C1C
InChIInChI=1S/C13H18Cl2N2/c1-9-4-3-7-17(10(9)2)8-12-11(14)5-6-13(15)16-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyBWAWFEOPKHMMMO-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.01
Rot. Bonds2

About 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine

3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine (PubChem CID 62891492) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
PubChem CID62891492
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
SMILESCC1CCCN(Cc2nc(Cl)ccc2Cl)C1C
InChIInChI=1S/C13H18Cl2N2/c1-9-4-3-7-17(10(9)2)8-12-11(14)5-6-13(15)16-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyBWAWFEOPKHMMMO-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885085
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778580
1-[(3,6-dichloro-2-pyridinyl)methyl]-2-ethylazepane
CID 104689621
1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 62890575
ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
5-chloro-N-ethyl-6-[(2-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 62890748
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62892563
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 113461629
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
CID 102985057
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 63595615
[4-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methanol
CID 112631290
5-chloro-6-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]pyridin-2-amine
CID 114087556

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine (CID 62891492) is 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine is CC1CCCN(Cc2nc(Cl)ccc2Cl)C1C.
What is the InChIKey of 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine?
The InChIKey is BWAWFEOPKHMMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-4-3-7-17(10(9)2)8-12-11(14)5-6-13(15)16-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine?
3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine has a molecular weight of 273.21 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 62891492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).