piperazin-1-yl(1H-pyrrol-3-yl)methanamine

C9H16N4 — CID 116939780

IUPACpiperazin-1-yl(1H-pyrrol-3-yl)methanamine
SMILESNC(c1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C9H16N4/c10-9(8-1-2-12-7-8)13-5-3-11-4-6-13/h1-2,7,9,11-12H,3-6,10H2
InChIKeyAHZFGIYEOMIEGQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.12
Rot. Bonds2

About piperazin-1-yl(1H-pyrrol-3-yl)methanamine

piperazin-1-yl(1H-pyrrol-3-yl)methanamine (PubChem CID 116939780) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is piperazin-1-yl(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Namepiperazin-1-yl(1H-pyrrol-3-yl)methanamine
PubChem CID116939780
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Namepiperazin-1-yl(1H-pyrrol-3-yl)methanamine
SMILESNC(c1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C9H16N4/c10-9(8-1-2-12-7-8)13-5-3-11-4-6-13/h1-2,7,9,11-12H,3-6,10H2
InChIKeyAHZFGIYEOMIEGQ-UHFFFAOYSA-N
XLogP-0.12
TPSA57.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze piperazin-1-yl(1H-pyrrol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
CID 82283605
(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
1-[cyclopentyl(1H-pyrrol-3-yl)methyl]piperazine
CID 82290436
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
2-(1,4-diazepan-1-yl)-2-(1H-pyrrol-3-yl)ethanol
CID 82283979
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
N-methyl-3-piperazin-1-yl-1-(1H-pyrrol-3-yl)butan-1-amine
CID 116960921
(1-methylpiperazin-2-yl)-(1H-pyrrol-3-yl)methanamine
CID 116941283
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
CID 116939801
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(1H-pyrrol-3-yl)methanamine?
The IUPAC name of piperazin-1-yl(1H-pyrrol-3-yl)methanamine (CID 116939780) is piperazin-1-yl(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for piperazin-1-yl(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for piperazin-1-yl(1H-pyrrol-3-yl)methanamine is NC(c1cc[nH]c1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(1H-pyrrol-3-yl)methanamine?
The InChIKey is AHZFGIYEOMIEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-9(8-1-2-12-7-8)13-5-3-11-4-6-13/h1-2,7,9,11-12H,3-6,10H2.
What are the key properties of piperazin-1-yl(1H-pyrrol-3-yl)methanamine?
piperazin-1-yl(1H-pyrrol-3-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116939780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).