3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine

C13H16Cl3N — CID 65318449

IUPAC3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
SMILESClCC1CCCN(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl3N/c14-7-10-2-1-5-17(8-10)9-11-6-12(15)3-4-13(11)16/h3-4,6,10H,1-2,5,7-9H2
InChIKeyOINLRIAHERSOKP-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.44
Rot. Bonds3

About 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine

3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine (PubChem CID 65318449) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
PubChem CID65318449
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
SMILESClCC1CCCN(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl3N/c14-7-10-2-1-5-17(8-10)9-11-6-12(15)3-4-13(11)16/h3-4,6,10H,1-2,5,7-9H2
InChIKeyOINLRIAHERSOKP-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 54.44
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

[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
3-(2-bromoethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine
CID 80690764
2-[(4S)-1-[(2,5-dichlorophenyl)methyl]azepan-4-yl]acetic acid
CID 129489700
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
1-[(4-bromo-2-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 55183140
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
1-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)azetidine
CID 130531144
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065
3-[(3R)-1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propan-1-ol
CID 99943301
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine?
The IUPAC name of 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine (CID 65318449) is 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine?
The canonical SMILES for 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine is ClCC1CCCN(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine?
The InChIKey is OINLRIAHERSOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N/c14-7-10-2-1-5-17(8-10)9-11-6-12(15)3-4-13(11)16/h3-4,6,10H,1-2,5,7-9H2.
What are the key properties of 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine?
3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine has a molecular weight of 292.64 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]piperidine is sourced from PubChem (CID 65318449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).