1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride

C26H31ClN2O — CID 90668406

IUPAC1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(CN2CCN(C(Cc3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C26H30N2O.ClH/c1-29-25-14-12-23(13-15-25)21-27-16-18-28(19-17-27)26(24-10-6-3-7-11-24)20-22-8-4-2-5-9-22;/h2-15,26H,16-21H2,1H3;1H
InChIKeyAMRJBYUSKQXBKI-UHFFFAOYSA-N
MW423.00 g/mol
LogP5.22
Rot. Bonds7

About 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride

1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 90668406) has the molecular formula C26H31ClN2O and a molecular weight of 423.00 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID90668406
Molecular FormulaC26H31ClN2O
Molecular Weight423.00 g/mol
Exact Mass422.21
IUPAC Name1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(CN2CCN(C(Cc3ccccc3)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C26H30N2O.ClH/c1-29-25-14-12-23(13-15-25)21-27-16-18-28(19-17-27)26(24-10-6-3-7-11-24)20-22-8-4-2-5-9-22;/h2-15,26H,16-21H2,1H3;1H
InChIKeyAMRJBYUSKQXBKI-UHFFFAOYSA-N
XLogP5.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethanone
CID 12505294
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
(1R,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol;hydrochloride
CID 90668409
2-(4-benzylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43061248
1-(4-benzylpiperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
CID 2867463
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
(1S,2R)-2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 12505375
1-(4-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 12505299
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride (CID 90668406) is 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride is COc1ccc(CN2CCN(C(Cc3ccccc3)c3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is AMRJBYUSKQXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O.ClH/c1-29-25-14-12-23(13-15-25)21-27-16-18-28(19-17-27)26(24-10-6-3-7-11-24)20-22-8-4-2-5-9-22;/h2-15,26H,16-21H2,1H3;1H.
What are the key properties of 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride?
1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 423.00 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-4-[(4-methoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 90668406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).