1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine

C30H40N2O5 — CID 142950222

IUPAC1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine
SMILESCOCc1ccc(OC)cc1.COc1ccccc1OCCCOCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C21H28N2O3.C9H12O2/c1-24-20-5-2-3-6-21(20)26-16-4-15-25-17-18-7-9-19(10-8-18)23-13-11-22-12-14-23;1-10-7-8-3-5-9(11-2)6-4-8/h2-3,5-10,22H,4,11-17H2,1H3;3-6H,7H2,1-2H3
InChIKeyREXXCHAOGNLBOC-UHFFFAOYSA-N
MW508.66 g/mol
LogP4.93
Rot. Bonds12

About 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine

1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine (PubChem CID 142950222) has the molecular formula C30H40N2O5 and a molecular weight of 508.66 g/mol. Its IUPAC name is 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine.

Molecular Properties

Compound Name1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine
PubChem CID142950222
Molecular FormulaC30H40N2O5
Molecular Weight508.66 g/mol
Exact Mass508.29
IUPAC Name1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine
SMILESCOCc1ccc(OC)cc1.COc1ccccc1OCCCOCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C21H28N2O3.C9H12O2/c1-24-20-5-2-3-6-21(20)26-16-4-15-25-17-18-7-9-19(10-8-18)23-13-11-22-12-14-23;1-10-7-8-3-5-9(11-2)6-4-8/h2-3,5-10,22H,4,11-17H2,1H3;3-6H,7H2,1-2H3
InChIKeyREXXCHAOGNLBOC-UHFFFAOYSA-N
XLogP4.93
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine?
The IUPAC name of 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine (CID 142950222) is 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine.
What is the SMILES notation for 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine?
The canonical SMILES for 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine is COCc1ccc(OC)cc1.COc1ccccc1OCCCOCc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine?
The InChIKey is REXXCHAOGNLBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.C9H12O2/c1-24-20-5-2-3-6-21(20)26-16-4-15-25-17-18-7-9-19(10-8-18)23-13-11-22-12-14-23;1-10-7-8-3-5-9(11-2)6-4-8/h2-3,5-10,22H,4,11-17H2,1H3;3-6H,7H2,1-2H3.
What are the key properties of 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine?
1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine has a molecular weight of 508.66 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine is sourced from PubChem (CID 142950222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).