[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine

C12H22N4 — CID 82891821

IUPAC[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine
SMILESCN1CCN(CCn2ccc(CN)c2)CC1
InChIInChI=1S/C12H22N4/c1-14-4-6-15(7-5-14)8-9-16-3-2-12(10-13)11-16/h2-3,11H,4-10,13H2,1H3
InChIKeyYQQYKJKIIONADS-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.19
Rot. Bonds4

About [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine

[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine (PubChem CID 82891821) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine
PubChem CID82891821
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine
SMILESCN1CCN(CCn2ccc(CN)c2)CC1
InChIInChI=1S/C12H22N4/c1-14-4-6-15(7-5-14)8-9-16-3-2-12(10-13)11-16/h2-3,11H,4-10,13H2,1H3
InChIKeyYQQYKJKIIONADS-UHFFFAOYSA-N
XLogP0.19
TPSA37.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanol
CID 82891582
1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907033
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methanol
CID 66398918
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406201
3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889710
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]methanamine
CID 115515089
[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanamine
CID 66408847
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66409497

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine?
The IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine (CID 82891821) is [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine?
The canonical SMILES for [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine is CN1CCN(CCn2ccc(CN)c2)CC1.
What is the InChIKey of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine?
The InChIKey is YQQYKJKIIONADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-14-4-6-15(7-5-14)8-9-16-3-2-12(10-13)11-16/h2-3,11H,4-10,13H2,1H3.
What are the key properties of [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine?
[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 82891821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).