(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine

C32H34N2O — CID 102380045

IUPAC(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
SMILESCOc1ccc(C[C@@H]2CN(Cc3ccccc3)C[C@H](Cc3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C32H34N2O/c1-35-32-19-17-27(18-20-32)22-31-25-33(23-28-13-7-3-8-14-28)24-30(21-26-11-5-2-6-12-26)34(31)29-15-9-4-10-16-29/h2-20,30-31H,21-25H2,1H3/t30-,31+/m0/s1
InChIKeyHWNGQDTWNFWVEL-IOWSJCHKSA-N
MW462.64 g/mol
LogP6.24
Rot. Bonds8

About (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine

(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine (PubChem CID 102380045) has the molecular formula C32H34N2O and a molecular weight of 462.64 g/mol. Its IUPAC name is (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine.

Molecular Properties

Compound Name(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
PubChem CID102380045
Molecular FormulaC32H34N2O
Molecular Weight462.64 g/mol
Exact Mass462.27
IUPAC Name(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
SMILESCOc1ccc(C[C@@H]2CN(Cc3ccccc3)C[C@H](Cc3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C32H34N2O/c1-35-32-19-17-27(18-20-32)22-31-25-33(23-28-13-7-3-8-14-28)24-30(21-26-11-5-2-6-12-26)34(31)29-15-9-4-10-16-29/h2-20,30-31H,21-25H2,1H3/t30-,31+/m0/s1
InChIKeyHWNGQDTWNFWVEL-IOWSJCHKSA-N
XLogP6.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
(3R,4R)-1-benzyl-4-(4-methoxyphenoxy)pyrrolidin-3-ol
CID 13320244
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
dibenzyl (1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylate
CID 73057854
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
9,9-difluoro-3-[(4-methoxyphenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 129276124
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine?
The IUPAC name of (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine (CID 102380045) is (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine.
What is the SMILES notation for (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine?
The canonical SMILES for (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine is COc1ccc(C[C@@H]2CN(Cc3ccccc3)C[C@H](Cc3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine?
The InChIKey is HWNGQDTWNFWVEL-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H34N2O/c1-35-32-19-17-27(18-20-32)22-31-25-33(23-28-13-7-3-8-14-28)24-30(21-26-11-5-2-6-12-26)34(31)29-15-9-4-10-16-29/h2-20,30-31H,21-25H2,1H3/t30-,31+/m0/s1.
What are the key properties of (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine?
(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine has a molecular weight of 462.64 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine is sourced from PubChem (CID 102380045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).