5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine

C12H13Cl2N — CID 154679027

IUPAC5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
SMILESClCC1=C(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C12H13Cl2N/c13-7-10-8-15-6-5-12(10)9-1-3-11(14)4-2-9/h1-4,15H,5-8H2
InChIKeyVOBFKYXEVCOJQI-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.33
Rot. Bonds2

About 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine

5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 154679027) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID154679027
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
SMILESClCC1=C(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C12H13Cl2N/c13-7-10-8-15-6-5-12(10)9-1-3-11(14)4-2-9/h1-4,15H,5-8H2
InChIKeyVOBFKYXEVCOJQI-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-5-yl]methanol
CID 46856198
7-(chloromethyl)-8-(4-chlorophenyl)spiro[3.5]non-7-ene
CID 134231111
1-(2-bromocyclobuten-1-yl)-4-chlorobenzene
CID 164680892
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647345
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91117667
4-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043853
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;hydron;chloride
CID 130277568
3-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 82475714
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 13143700
4-(4-chlorophenyl)-5-(2-methoxyphenyl)-2,3-dihydro-1H-pyrrole
CID 174823810

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine (CID 154679027) is 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine is ClCC1=C(c2ccc(Cl)cc2)CCNC1.
What is the InChIKey of 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VOBFKYXEVCOJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c13-7-10-8-15-6-5-12(10)9-1-3-11(14)4-2-9/h1-4,15H,5-8H2.
What are the key properties of 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine?
5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 242.15 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 154679027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).