1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

C22H29ClN2O4 — CID 3740741

IUPAC1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(Cl)cc1C(c1cc(OC)c(OC)c(OC)c1)N1CCNCC1
InChIInChI=1S/C22H29ClN2O4/c1-5-29-18-7-6-16(23)14-17(18)21(25-10-8-24-9-11-25)15-12-19(26-2)22(28-4)20(13-15)27-3/h6-7,12-14,21,24H,5,8-11H2,1-4H3
InChIKeyAHNDFTHMOYVXHT-UHFFFAOYSA-N
MW420.94 g/mol
LogP3.76
Rot. Bonds8

About 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 3740741) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID3740741
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(Cl)cc1C(c1cc(OC)c(OC)c(OC)c1)N1CCNCC1
InChIInChI=1S/C22H29ClN2O4/c1-5-29-18-7-6-16(23)14-17(18)21(25-10-8-24-9-11-25)15-12-19(26-2)22(28-4)20(13-15)27-3/h6-7,12-14,21,24H,5,8-11H2,1-4H3
InChIKeyAHNDFTHMOYVXHT-UHFFFAOYSA-N
XLogP3.76
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane
CID 3798874
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
1-[(4-ethoxy-3-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3635199
1-[(3-ethoxy-4-methoxyphenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3478154
1-[(5-chloro-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperazine
CID 3719125
1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 3740741) is 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine is CCOc1ccc(Cl)cc1C(c1cc(OC)c(OC)c(OC)c1)N1CCNCC1.
What is the InChIKey of 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is AHNDFTHMOYVXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4/c1-5-29-18-7-6-16(23)14-17(18)21(25-10-8-24-9-11-25)15-12-19(26-2)22(28-4)20(13-15)27-3/h6-7,12-14,21,24H,5,8-11H2,1-4H3.
What are the key properties of 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 420.94 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3740741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).