1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol

C12H21N3O — CID 82287228

IUPAC1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCn1ccc(C(O)CCN2CCNCC2)c1
InChIInChI=1S/C12H21N3O/c1-14-6-2-11(10-14)12(16)3-7-15-8-4-13-5-9-15/h2,6,10,12-13,16H,3-5,7-9H2,1H3
InChIKeyGIBYXLYWONBCMB-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.35
Rot. Bonds4

About 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol

1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82287228) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82287228
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCn1ccc(C(O)CCN2CCNCC2)c1
InChIInChI=1S/C12H21N3O/c1-14-6-2-11(10-14)12(16)3-7-15-8-4-13-5-9-15/h2,6,10,12-13,16H,3-5,7-9H2,1H3
InChIKeyGIBYXLYWONBCMB-UHFFFAOYSA-N
XLogP0.35
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
1-(1-methylpyrrol-3-yl)propane-1,3-diol
CID 82280202
1-(4-methylsulfonylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82265087
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
CID 82280396
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
CID 82074067
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-[1-(1-methylpyrrol-3-yl)-2-pyrrolidin-1-ylethyl]piperazine
CID 82303050
1-[(1-methylpyrrol-3-yl)methyl]piperazine
CID 82280746
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol (CID 82287228) is 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol is Cn1ccc(C(O)CCN2CCNCC2)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is GIBYXLYWONBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-6-2-11(10-14)12(16)3-7-15-8-4-13-5-9-15/h2,6,10,12-13,16H,3-5,7-9H2,1H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol?
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.35, 4 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)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).