1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine

C14H19Cl2N — CID 114846600

IUPAC1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(c2cc(Cl)ccc2CCl)C1C
InChIInChI=1S/C14H19Cl2N/c1-10-4-3-7-17(11(10)2)14-8-13(16)6-5-12(14)9-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyHSQZSEVHTWOLLX-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.70
Rot. Bonds2

About 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine

1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine (PubChem CID 114846600) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine
PubChem CID114846600
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(c2cc(Cl)ccc2CCl)C1C
InChIInChI=1S/C14H19Cl2N/c1-10-4-3-7-17(11(10)2)14-8-13(16)6-5-12(14)9-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyHSQZSEVHTWOLLX-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.70
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

4-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylthiomorpholine
CID 114846834
4-(chloromethyl)-3-(2,3-dimethylpiperidin-1-yl)pyridine
CID 105067424
5-chloro-2-(2,3-dimethylpiperidin-1-yl)benzaldehyde
CID 114844232
[2-(2,3-dimethylpiperidin-1-yl)-4-methylphenyl]methanamine
CID 62307797
1-[4-(chloromethyl)-2-methylphenyl]-2,3-dimethylpiperidine
CID 63567826
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 114846746
1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine
CID 62123401
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
1-[4-chloro-2-(chloromethyl)phenyl]-4-methylazepane
CID 114846684
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
The IUPAC name of 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine (CID 114846600) is 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine.
What is the SMILES notation for 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
The canonical SMILES for 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine is CC1CCCN(c2cc(Cl)ccc2CCl)C1C.
What is the InChIKey of 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
The InChIKey is HSQZSEVHTWOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10-4-3-7-17(11(10)2)14-8-13(16)6-5-12(14)9-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine has a molecular weight of 272.22 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine is sourced from PubChem (CID 114846600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).