1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine

C19H28N4O — CID 122142087

IUPAC1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
SMILESCOc1cccc(C(C)N2CCN(CCc3cnn(C)c3)CC2)c1
InChIInChI=1S/C19H28N4O/c1-16(18-5-4-6-19(13-18)24-3)23-11-9-22(10-12-23)8-7-17-14-20-21(2)15-17/h4-6,13-16H,7-12H2,1-3H3
InChIKeyAVRAZYNWZCKUOZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.35
Rot. Bonds6

About 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine

1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine (PubChem CID 122142087) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
PubChem CID122142087
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
SMILESCOc1cccc(C(C)N2CCN(CCc3cnn(C)c3)CC2)c1
InChIInChI=1S/C19H28N4O/c1-16(18-5-4-6-19(13-18)24-3)23-11-9-22(10-12-23)8-7-17-14-20-21(2)15-17/h4-6,13-16H,7-12H2,1-3H3
InChIKeyAVRAZYNWZCKUOZ-UHFFFAOYSA-N
XLogP2.35
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
1-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 124606516
1-[1-(3-methoxyphenyl)ethyl]-4-(2-methylsulfonylethyl)piperazine
CID 122133686
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661
1-(3-methoxyphenyl)-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanol
CID 111565328
4-[3-(3-methoxyphenyl)sulfanylpropyl]-1-methylpyrazole
CID 87037654
4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 124885455
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
2-cyclopropyl-5-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331326

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine (CID 122142087) is 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine is COc1cccc(C(C)N2CCN(CCc3cnn(C)c3)CC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine?
The InChIKey is AVRAZYNWZCKUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16(18-5-4-6-19(13-18)24-3)23-11-9-22(10-12-23)8-7-17-14-20-21(2)15-17/h4-6,13-16H,7-12H2,1-3H3.
What are the key properties of 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine?
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 122142087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).