1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine

C34H38N2O2 — CID 134851748

IUPAC1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine
SMILESc1ccc(COCC2C(COCc3ccccc3)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)23-35-21-22-36(24-30-15-7-2-8-16-30)34(28-38-26-32-19-11-4-12-20-32)33(35)27-37-25-31-17-9-3-10-18-31/h1-20,33-34H,21-28H2
InChIKeyIYSNCWSNNHOKPZ-UHFFFAOYSA-N
MW506.69 g/mol
LogP6.18
Rot. Bonds12

About 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine

1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine (PubChem CID 134851748) has the molecular formula C34H38N2O2 and a molecular weight of 506.69 g/mol. Its IUPAC name is 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine.

Molecular Properties

Compound Name1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine
PubChem CID134851748
Molecular FormulaC34H38N2O2
Molecular Weight506.69 g/mol
Exact Mass506.29
IUPAC Name1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine
SMILESc1ccc(COCC2C(COCc3ccccc3)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)23-35-21-22-36(24-30-15-7-2-8-16-30)34(28-38-26-32-19-11-4-12-20-32)33(35)27-37-25-31-17-9-3-10-18-31/h1-20,33-34H,21-28H2
InChIKeyIYSNCWSNNHOKPZ-UHFFFAOYSA-N
XLogP6.18
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
1-Benzhydryl-4-(benzyloxy)-4-phenylpiperidine
CID 10388166
1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylbut-3-en-1-yl)piperazine
CID 24825327
1-(2-Benzylprop-2-en-1-yl)-4-[2-(diphenylmethoxy)ethyl]piperazine
CID 24825331
(2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimethyl-piperazine
CID 10650002
1,4-Bis-(2-benzhydryloxy-ethyl)-piperazine
CID 3064081
(2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-(3-phenyl-propyl)-piperazine
CID 10503374
1-(2-Benzhydryloxy-ethyl)-4-naphthalen-1-ylmethyl-piperazine
CID 10646601
(2S,5R)-1-(2-Benzhydryloxy-ethyl)-2,5-dimethyl-4-((E)-3-phenyl-allyl)-piperazine
CID 10670790
(+/-)-2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-yl]-2-phenyl-ethanol
CID 10862638
2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol
CID 10863340
4-[2-[4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]ethyl]morpholine
CID 44358408

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine?
The IUPAC name of 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine (CID 134851748) is 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine.
What is the SMILES notation for 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine?
The canonical SMILES for 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine is c1ccc(COCC2C(COCc3ccccc3)N(Cc3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine?
The InChIKey is IYSNCWSNNHOKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O2/c1-5-13-29(14-6-1)23-35-21-22-36(24-30-15-7-2-8-16-30)34(28-38-26-32-19-11-4-12-20-32)33(35)27-37-25-31-17-9-3-10-18-31/h1-20,33-34H,21-28H2.
What are the key properties of 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine?
1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine has a molecular weight of 506.69 g/mol, XLogP of 6.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-2,3-bis(phenylmethoxymethyl)piperazine is sourced from PubChem (CID 134851748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).