ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine

C12H23N3 — CID 90763652

IUPACethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
SMILESC1=NC(CCC2CNCCN2)=CC1.CC
InChIInChI=1S/C10H17N3.C2H6/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10;1-2/h2,5,10-11,13H,1,3-4,6-8H2;1-2H3
InChIKeyWNMMZFPKMVXYAT-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.71
Rot. Bonds3

About ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine

ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine (PubChem CID 90763652) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine.

Molecular Properties

Compound Nameethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
PubChem CID90763652
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
SMILESC1=NC(CCC2CNCCN2)=CC1.CC
InChIInChI=1S/C10H17N3.C2H6/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10;1-2/h2,5,10-11,13H,1,3-4,6-8H2;1-2H3
InChIKeyWNMMZFPKMVXYAT-UHFFFAOYSA-N
XLogP1.71
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 20641669
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
N-(3H-pyrrol-5-ylmethyl)decan-1-amine
CID 58291783
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine
CID 89037599
N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028
N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine
CID 123211008
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
6-(methylaminomethyl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)-3,4-dihydropyridin-5-amine
CID 137506839
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
CID 138549377

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
The IUPAC name of ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine (CID 90763652) is ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine.
What is the SMILES notation for ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
The canonical SMILES for ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine is C1=NC(CCC2CNCCN2)=CC1.CC.
What is the InChIKey of ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
The InChIKey is WNMMZFPKMVXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10;1-2/h2,5,10-11,13H,1,3-4,6-8H2;1-2H3.
What are the key properties of ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine?
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine has a molecular weight of 209.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine is sourced from PubChem (CID 90763652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).