1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine

C21H26Cl2N2O — CID 170863707

IUPAC1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(OCc3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C21H26Cl2N2O/c1-24-12-14-25(15-13-24)11-3-4-17-7-9-18(10-8-17)26-16-19-20(22)5-2-6-21(19)23/h2,5-10H,3-4,11-16H2,1H3
InChIKeyVEBSZHKZXKNURX-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.75
Rot. Bonds7

About 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine

1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine (PubChem CID 170863707) has the molecular formula C21H26Cl2N2O and a molecular weight of 393.36 g/mol. Its IUPAC name is 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
PubChem CID170863707
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.36 g/mol
Exact Mass392.14
IUPAC Name1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCc2ccc(OCc3c(Cl)cccc3Cl)cc2)CC1
InChIInChI=1S/C21H26Cl2N2O/c1-24-12-14-25(15-13-24)11-3-4-17-7-9-18(10-8-17)26-16-19-20(22)5-2-6-21(19)23/h2,5-10H,3-4,11-16H2,1H3
InChIKeyVEBSZHKZXKNURX-UHFFFAOYSA-N
XLogP4.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863695
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863546
1-methyl-4-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-1,4-diazepane
CID 170863358
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
N-hydroxy-N-[3-[4-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]propyl]acetamide
CID 23381116
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
1-[3-[2-(4-chlorophenoxy)-6-fluorophenyl]propyl]-4-methylpiperazine
CID 170862989
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine (CID 170863707) is 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine is CN1CCN(CCCc2ccc(OCc3c(Cl)cccc3Cl)cc2)CC1.
What is the InChIKey of 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
The InChIKey is VEBSZHKZXKNURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O/c1-24-12-14-25(15-13-24)11-3-4-17-7-9-18(10-8-17)26-16-19-20(22)5-2-6-21(19)23/h2,5-10H,3-4,11-16H2,1H3.
What are the key properties of 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine?
1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine has a molecular weight of 393.36 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).