3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine

C12H14Cl3N — CID 107309973

IUPAC3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
SMILESClc1cccc(CN2CCCC(Cl)C2)c1Cl
InChIInChI=1S/C12H14Cl3N/c13-10-4-2-6-16(8-10)7-9-3-1-5-11(14)12(9)15/h1,3,5,10H,2,4,6-8H2
InChIKeyBJIZYVQXQXCMRA-UHFFFAOYSA-N
MW278.61 g/mol
LogP4.20
Rot. Bonds2

About 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine

3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine (PubChem CID 107309973) has the molecular formula C12H14Cl3N and a molecular weight of 278.61 g/mol. Its IUPAC name is 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
PubChem CID107309973
Molecular FormulaC12H14Cl3N
Molecular Weight278.61 g/mol
Exact Mass277.02
IUPAC Name3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine
SMILESClc1cccc(CN2CCCC(Cl)C2)c1Cl
InChIInChI=1S/C12H14Cl3N/c13-10-4-2-6-16(8-10)7-9-3-1-5-11(14)12(9)15/h1,3,5,10H,2,4,6-8H2
InChIKeyBJIZYVQXQXCMRA-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.61
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
1-[(2,3-dichlorophenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 122138465
4-bromo-1-[(2,3-dichlorophenyl)methyl]piperidine
CID 107310040
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine?
The IUPAC name of 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine (CID 107309973) is 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine.
What is the SMILES notation for 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine?
The canonical SMILES for 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine is Clc1cccc(CN2CCCC(Cl)C2)c1Cl.
What is the InChIKey of 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine?
The InChIKey is BJIZYVQXQXCMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N/c13-10-4-2-6-16(8-10)7-9-3-1-5-11(14)12(9)15/h1,3,5,10H,2,4,6-8H2.
What are the key properties of 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine?
3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine has a molecular weight of 278.61 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(2,3-dichlorophenyl)methyl]piperidine is sourced from PubChem (CID 107309973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).