1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine

C26H29ClN2O2 — CID 3580291

IUPAC1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCOc1cc(C(c2cccc(Cl)c2)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H29ClN2O2/c1-2-30-25-18-22(11-12-24(25)31-19-20-7-4-3-5-8-20)26(29-15-13-28-14-16-29)21-9-6-10-23(27)17-21/h3-12,17-18,26,28H,2,13-16,19H2,1H3
InChIKeyOQFSQWZJEIWDSM-UHFFFAOYSA-N
MW436.98 g/mol
LogP5.31
Rot. Bonds8

About 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine

1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 3580291) has the molecular formula C26H29ClN2O2 and a molecular weight of 436.98 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID3580291
Molecular FormulaC26H29ClN2O2
Molecular Weight436.98 g/mol
Exact Mass436.19
IUPAC Name1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCOc1cc(C(c2cccc(Cl)c2)N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C26H29ClN2O2/c1-2-30-25-18-22(11-12-24(25)31-19-20-7-4-3-5-8-20)26(29-15-13-28-14-16-29)21-9-6-10-23(27)17-21/h3-12,17-18,26,28H,2,13-16,19H2,1H3
InChIKeyOQFSQWZJEIWDSM-UHFFFAOYSA-N
XLogP5.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.98
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)-(3,4-diethoxyphenyl)methyl]piperazine
CID 5238145
1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 3938650
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4213882
1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 5133295
1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 4271499
1-[(2-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3735914
(3R)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189208
(3S)-3-(3-ethoxy-4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189657
1-[(3-ethoxy-4-methoxyphenyl)-phenylmethyl]piperazine
CID 3967405
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine (CID 3580291) is 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine is CCOc1cc(C(c2cccc(Cl)c2)N2CCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is OQFSQWZJEIWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2/c1-2-30-25-18-22(11-12-24(25)31-19-20-7-4-3-5-8-20)26(29-15-13-28-14-16-29)21-9-6-10-23(27)17-21/h3-12,17-18,26,28H,2,13-16,19H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine?
1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 436.98 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3580291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).