1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine

C28H42N2O2 — CID 3064083

IUPAC1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine
SMILESCCC(CCc1ccc(OC)cc1)N1CCN(C(CC)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C28H42N2O2/c1-5-25(13-7-23-9-15-27(31-3)16-10-23)29-19-21-30(22-20-29)26(6-2)14-8-24-11-17-28(32-4)18-12-24/h9-12,15-18,25-26H,5-8,13-14,19-22H2,1-4H3
InChIKeyFFHQPARIWHXSCX-UHFFFAOYSA-N
MW438.66 g/mol
LogP5.44
Rot. Bonds12

About 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine

1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine (PubChem CID 3064083) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine.

Molecular Properties

Compound Name1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine
PubChem CID3064083
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC Name1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine
SMILESCCC(CCc1ccc(OC)cc1)N1CCN(C(CC)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C28H42N2O2/c1-5-25(13-7-23-9-15-27(31-3)16-10-23)29-19-21-30(22-20-29)26(6-2)14-8-24-11-17-28(32-4)18-12-24/h9-12,15-18,25-26H,5-8,13-14,19-22H2,1-4H3
InChIKeyFFHQPARIWHXSCX-UHFFFAOYSA-N
XLogP5.44
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
CID 111497039
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine
CID 20735315
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 40501303
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
1-(5-chloroheptyl)-4-methoxybenzene
CID 65443850
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine?
The IUPAC name of 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine (CID 3064083) is 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine.
What is the SMILES notation for 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine?
The canonical SMILES for 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine is CCC(CCc1ccc(OC)cc1)N1CCN(C(CC)CCc2ccc(OC)cc2)CC1.
What is the InChIKey of 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine?
The InChIKey is FFHQPARIWHXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O2/c1-5-25(13-7-23-9-15-27(31-3)16-10-23)29-19-21-30(22-20-29)26(6-2)14-8-24-11-17-28(32-4)18-12-24/h9-12,15-18,25-26H,5-8,13-14,19-22H2,1-4H3.
What are the key properties of 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine?
1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine has a molecular weight of 438.66 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine is sourced from PubChem (CID 3064083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).