1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine

C22H30N2O2 — CID 134152568

IUPAC1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCOc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-18(2)26-22-7-5-4-6-21(22)24-16-14-23(15-17-24)13-12-19-8-10-20(25-3)11-9-19/h4-11,18H,12-17H2,1-3H3
InChIKeyMVQIIUYTULUULJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.85
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine

1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 134152568) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
PubChem CID134152568
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCOc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-18(2)26-22-7-5-4-6-21(22)24-16-14-23(15-17-24)13-12-19-8-10-20(25-3)11-9-19/h4-11,18H,12-17H2,1-3H3
InChIKeyMVQIIUYTULUULJ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethoxyphenyl)piperazine
CID 83357
Anisopirol
CID 13333
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
Piperazine, 1-(3-phenoxypropyl)-4-phenyl-
CID 3050372
1-[4-(Azulenylmethyl)piperazinyl]-2-methoxybenzene
CID 3716121
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-[(2,4,6-Trimethylphenoxy)propyl]-4-(2-methoxyphenyl)piperazine hydrochloride (4)
CID 91937906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (CID 134152568) is 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is COc1ccc(CCN2CCN(c3ccccc3OC(C)C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is MVQIIUYTULUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18(2)26-22-7-5-4-6-21(22)24-16-14-23(15-17-24)13-12-19-8-10-20(25-3)11-9-19/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 134152568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).