1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine

C11H19N3 — CID 116928299

IUPAC1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
SMILESCN1CCNC(CCc2cc[nH]c2)C1
InChIInChI=1S/C11H19N3/c1-14-7-6-13-11(9-14)3-2-10-4-5-12-8-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3
InChIKeyCZQUAYAEIQKHFD-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.85
Rot. Bonds3

About 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine

1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine (PubChem CID 116928299) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
PubChem CID116928299
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
SMILESCN1CCNC(CCc2cc[nH]c2)C1
InChIInChI=1S/C11H19N3/c1-14-7-6-13-11(9-14)3-2-10-4-5-12-8-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3
InChIKeyCZQUAYAEIQKHFD-UHFFFAOYSA-N
XLogP0.85
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
1-methyl-3-(2-phenylethyl)piperazine
CID 82470032
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023
3-methyl-1-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 83531093
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
3-(3,3-dimethylbutyl)-1-methylpiperazine
CID 116928268
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
3-[(4-methoxyphenyl)methyl]-1-methylpiperazine
CID 82286365
(3R)-3-(fluoromethyl)-1-methylpiperazine
CID 67523011
3-ethyl-1-methylpiperazine;hydrochloride
CID 138111979
N-[2-(4-methylpiperazin-2-yl)ethyl]-5-propylpyrimidin-2-amine
CID 116976042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine (CID 116928299) is 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine is CN1CCNC(CCc2cc[nH]c2)C1.
What is the InChIKey of 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
The InChIKey is CZQUAYAEIQKHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14-7-6-13-11(9-14)3-2-10-4-5-12-8-10/h4-5,8,11-13H,2-3,6-7,9H2,1H3.
What are the key properties of 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine?
1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine is sourced from PubChem (CID 116928299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).