1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol

C11H19N3O — CID 82283971

IUPAC1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
SMILESCn1ccc(C(O)CN2CCNCC2)c1
InChIInChI=1S/C11H19N3O/c1-13-5-2-10(8-13)11(15)9-14-6-3-12-4-7-14/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3
InChIKeyMOZOHHALYIEIRW-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.04
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol

1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol (PubChem CID 82283971) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
PubChem CID82283971
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
SMILESCn1ccc(C(O)CN2CCNCC2)c1
InChIInChI=1S/C11H19N3O/c1-13-5-2-10(8-13)11(15)9-14-6-3-12-4-7-14/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3
InChIKeyMOZOHHALYIEIRW-UHFFFAOYSA-N
XLogP-0.04
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
CID 82303050
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-[(1-methylpyrrol-3-yl)methyl]piperazine
CID 82280746
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614
1-(5-methylfuran-2-yl)-2-piperazin-1-ylethanol
CID 3494816
2-piperazin-1-yl-1-(2,3,4-trichlorophenyl)ethanol
CID 3955467
1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
CID 82263840
2-hydrazinyl-1-(1-methylpyrrol-3-yl)ethanol
CID 82280203

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol (CID 82283971) is 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol is Cn1ccc(C(O)CN2CCNCC2)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol?
The InChIKey is MOZOHHALYIEIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-5-2-10(8-13)11(15)9-14-6-3-12-4-7-14/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol?
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol has a molecular weight of 209.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 82283971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).