1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine

C15H23ClN2O — CID 63872390

IUPAC1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
SMILESCC1CN(CCCOc2ccc(Cl)cc2)CC(C)N1
InChIInChI=1S/C15H23ClN2O/c1-12-10-18(11-13(2)17-12)8-3-9-19-15-6-4-14(16)5-7-15/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyXNTCMKOLORQISU-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.79
Rot. Bonds5

About 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine

1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine (PubChem CID 63872390) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
PubChem CID63872390
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
SMILESCC1CN(CCCOc2ccc(Cl)cc2)CC(C)N1
InChIInChI=1S/C15H23ClN2O/c1-12-10-18(11-13(2)17-12)8-3-9-19-15-6-4-14(16)5-7-15/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyXNTCMKOLORQISU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
1-[1-[3-(4-chlorophenoxy)propyl]azetidin-3-yl]piperazine
CID 66196373
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
(3S,5R)-3,5-dimethyl-1-(3-trityloxypropyl)piperazine
CID 69355796
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine (CID 63872390) is 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine is CC1CN(CCCOc2ccc(Cl)cc2)CC(C)N1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine?
The InChIKey is XNTCMKOLORQISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-12-10-18(11-13(2)17-12)8-3-9-19-15-6-4-14(16)5-7-15/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine?
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine has a molecular weight of 282.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63872390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).