4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine

C14H20Cl2N2 — CID 114846844

IUPAC4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2CCl)CC(C)N1C
InChIInChI=1S/C14H20Cl2N2/c1-10-8-18(9-11(2)17(10)3)14-5-4-13(16)6-12(14)7-15/h4-6,10-11H,7-9H2,1-3H3
InChIKeyKQCMISIKZJLGSY-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.61
Rot. Bonds2

About 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine

4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine (PubChem CID 114846844) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine
PubChem CID114846844
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2CCl)CC(C)N1C
InChIInChI=1S/C14H20Cl2N2/c1-10-8-18(9-11(2)17(10)3)14-5-4-13(16)6-12(14)7-15/h4-6,10-11H,7-9H2,1-3H3
InChIKeyKQCMISIKZJLGSY-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-chloro-2-(chloromethyl)phenyl]-2,6-dimethylthiomorpholine
CID 114846712
5-chloro-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543007
1-[4-chloro-2-(chloromethyl)phenyl]-3-methylpyrrolidine
CID 114846443
4-[4-(chloromethyl)-2-fluorophenyl]-1,2,6-trimethylpiperazine
CID 114538487
1-[4-chloro-2-(chloromethyl)phenyl]-4-methylazepane
CID 114846684
4-[4-(chloromethyl)-3-pyridinyl]-1,2,6-trimethylpiperazine
CID 105067542
1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114851241
1-[2-(aminomethyl)-4-chlorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460139

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine?
The IUPAC name of 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine (CID 114846844) is 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine is CC1CN(c2ccc(Cl)cc2CCl)CC(C)N1C.
What is the InChIKey of 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine?
The InChIKey is KQCMISIKZJLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10-8-18(9-11(2)17(10)3)14-5-4-13(16)6-12(14)7-15/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine?
4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(chloromethyl)phenyl]-1,2,6-trimethylpiperazine is sourced from PubChem (CID 114846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).