2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine

C9H16N4 — CID 131123786

IUPAC2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine
SMILESNc1cc[nH]c1CN1CCNCC1
InChIInChI=1S/C9H16N4/c10-8-1-2-12-9(8)7-13-5-3-11-4-6-13/h1-2,11-12H,3-7,10H2
InChIKeyGPBNTUVDRIKDQY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.00
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine

2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine (PubChem CID 131123786) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine
PubChem CID131123786
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine
SMILESNc1cc[nH]c1CN1CCNCC1
InChIInChI=1S/C9H16N4/c10-8-1-2-12-9(8)7-13-5-3-11-4-6-13/h1-2,11-12H,3-7,10H2
InChIKeyGPBNTUVDRIKDQY-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine?
The IUPAC name of 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine (CID 131123786) is 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine is Nc1cc[nH]c1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine?
The InChIKey is GPBNTUVDRIKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-8-1-2-12-9(8)7-13-5-3-11-4-6-13/h1-2,11-12H,3-7,10H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine?
2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 131123786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).