1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine

C15H23ClN2O — CID 2195012

IUPAC1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
SMILESCc1cc(Cl)cc(C)c1OCCCN1CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-12-10-14(16)11-13(2)15(12)19-9-3-6-18-7-4-17-5-8-18/h10-11,17H,3-9H2,1-2H3
InChIKeyZLSDYVJAOXJUDX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.63
Rot. Bonds5

About 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine

1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine (PubChem CID 2195012) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
PubChem CID2195012
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine
SMILESCc1cc(Cl)cc(C)c1OCCCN1CCNCC1
InChIInChI=1S/C15H23ClN2O/c1-12-10-14(16)11-13(2)15(12)19-9-3-6-18-7-4-17-5-8-18/h10-11,17H,3-9H2,1-2H3
InChIKeyZLSDYVJAOXJUDX-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
1-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]ethyl]piperazine
CID 2299248
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]piperazine;oxalic acid
CID 2944706
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
1-[3-(5-chloro-2-methyl-3-piperazin-1-ylphenoxy)propyl]-4-methylpiperazine
CID 69246678
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
1-[3-(3,4-dimethylphenoxy)propyl]-1,4-diazepane
CID 43162422
[2,3,6-trimethyl-4-(4-piperazin-1-ylbutoxy)phenyl] acetate
CID 139690584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine?
The IUPAC name of 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine (CID 2195012) is 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine?
The canonical SMILES for 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine is Cc1cc(Cl)cc(C)c1OCCCN1CCNCC1.
What is the InChIKey of 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine?
The InChIKey is ZLSDYVJAOXJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12-10-14(16)11-13(2)15(12)19-9-3-6-18-7-4-17-5-8-18/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine?
1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine has a molecular weight of 282.81 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2,6-dimethylphenoxy)propyl]piperazine is sourced from PubChem (CID 2195012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).