1-(1-methylpyrrol-2-yl)piperazine

C9H15N3 — CID 96740431

IUPAC1-(1-methylpyrrol-2-yl)piperazine
SMILESCn1cccc1N1CCNCC1
InChIInChI=1S/C9H15N3/c1-11-6-2-3-9(11)12-7-4-10-5-8-12/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyAZSHRBDSKNUQKJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.43
Rot. Bonds1

About 1-(1-methylpyrrol-2-yl)piperazine

1-(1-methylpyrrol-2-yl)piperazine (PubChem CID 96740431) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)piperazine
PubChem CID96740431
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(1-methylpyrrol-2-yl)piperazine
SMILESCn1cccc1N1CCNCC1
InChIInChI=1S/C9H15N3/c1-11-6-2-3-9(11)12-7-4-10-5-8-12/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyAZSHRBDSKNUQKJ-UHFFFAOYSA-N
XLogP0.43
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine
CID 171294498
1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281879
1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride
CID 171281897
1-[(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281880
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-methyl-7-piperazin-1-yl-2,3-dihydroindole
CID 82614660
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
ethane;molecular hydrogen;1-phenylpiperazine
CID 144544571
7-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
CID 172585168
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
1-(1-methyl-2H-pyridin-6-yl)piperazine
CID 56626623
1-(3-methyltriazol-4-yl)-1,4-diazepane
CID 114689941

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)piperazine?
The IUPAC name of 1-(1-methylpyrrol-2-yl)piperazine (CID 96740431) is 1-(1-methylpyrrol-2-yl)piperazine.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)piperazine?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)piperazine is Cn1cccc1N1CCNCC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)piperazine?
The InChIKey is AZSHRBDSKNUQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-11-6-2-3-9(11)12-7-4-10-5-8-12/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)piperazine?
1-(1-methylpyrrol-2-yl)piperazine has a molecular weight of 165.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)piperazine is sourced from PubChem (CID 96740431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).