1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine

C22H29ClN2O2 — CID 170863506

IUPAC1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O2/c1-24-12-14-25(15-13-24)11-3-4-18-7-10-21(26-2)22(16-18)27-17-19-5-8-20(23)9-6-19/h5-10,16H,3-4,11-15,17H2,1-2H3
InChIKeyNCIZOAGAWICSGY-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.11
Rot. Bonds8

About 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine

1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine (PubChem CID 170863506) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
PubChem CID170863506
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H29ClN2O2/c1-24-12-14-25(15-13-24)11-3-4-18-7-10-21(26-2)22(16-18)27-17-19-5-8-20(23)9-6-19/h5-10,16H,3-4,11-15,17H2,1-2H3
InChIKeyNCIZOAGAWICSGY-UHFFFAOYSA-N
XLogP4.11
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863546
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
4-[3-(3,4-dimethoxyphenyl)propyl]piperazin-1-amine
CID 82365911
1-[3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863606
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine (CID 170863506) is 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine is COc1ccc(CCCN2CCN(C)CC2)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The InChIKey is NCIZOAGAWICSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-24-12-14-25(15-13-24)11-3-4-18-7-10-21(26-2)22(16-18)27-17-19-5-8-20(23)9-6-19/h5-10,16H,3-4,11-15,17H2,1-2H3.
What are the key properties of 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine?
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine has a molecular weight of 388.94 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).