1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine

C22H30N2O2 — CID 71277666

IUPAC1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
SMILESCOc1ccc(C(C)CCN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-18(19-4-8-21(25-2)9-5-19)12-13-23-14-16-24(17-15-23)20-6-10-22(26-3)11-7-20/h4-11,18H,12-17H2,1-3H3
InChIKeyVLAHDHFHKWTOJZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.02
Rot. Bonds7

About 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine

1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine (PubChem CID 71277666) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
PubChem CID71277666
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine
SMILESCOc1ccc(C(C)CCN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-18(19-4-8-21(25-2)9-5-19)12-13-23-14-16-24(17-15-23)20-6-10-22(26-3)11-7-20/h4-11,18H,12-17H2,1-3H3
InChIKeyVLAHDHFHKWTOJZ-UHFFFAOYSA-N
XLogP4.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[3-(6-methoxynaphthalen-2-yl)butyl]piperidine
CID 46231083
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 42267599
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]-4-methoxybenzenesulfonamide
CID 42635571
[1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281866
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-(3,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-3-(4-methylphenoxy)propyl]piperazine
CID 42867816

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine (CID 71277666) is 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine is COc1ccc(C(C)CCN2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine?
The InChIKey is VLAHDHFHKWTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18(19-4-8-21(25-2)9-5-19)12-13-23-14-16-24(17-15-23)20-6-10-22(26-3)11-7-20/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine?
1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine has a molecular weight of 354.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 71277666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).