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

C20H29N3O — CID 10520288

IUPAC1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(CCc2cccn2C)CC1
InChIInChI=1S/C20H29N3O/c1-17(2)24-20-9-5-4-8-19(20)23-15-13-22(14-16-23)12-10-18-7-6-11-21(18)3/h4-9,11,17H,10,12-16H2,1-3H3
InChIKeyJQSCCEIOTGSKHK-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.18
Rot. Bonds6

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

1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 10520288) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
PubChem CID10520288
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(CCc2cccn2C)CC1
InChIInChI=1S/C20H29N3O/c1-17(2)24-20-9-5-4-8-19(20)23-15-13-22(14-16-23)12-10-18-7-6-11-21(18)3/h4-9,11,17H,10,12-16H2,1-3H3
InChIKeyJQSCCEIOTGSKHK-UHFFFAOYSA-N
XLogP3.18
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10644841
[4-[1-hydroxy-4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]phenyl]-piperidin-1-ylmethanone
CID 10719483
12-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-12-azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione;hydrochloride
CID 11670583
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
CID 10781910
6-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 10434667
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 163493568
2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 11661747
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (CID 10520288) is 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccccc1N1CCN(CCc2cccn2C)CC1.
What is the InChIKey of 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is JQSCCEIOTGSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-17(2)24-20-9-5-4-8-19(20)23-15-13-22(14-16-23)12-10-18-7-6-11-21(18)3/h4-9,11,17H,10,12-16H2,1-3H3.
What are the key properties of 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 327.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 10520288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).