cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron

C15H20FeN2-6 — CID 91928288

IUPACcyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron
SMILES[Fe].[cH-]1[cH-][cH-][c-](CN2CCNCC2)[cH-]1.c1cc[cH-]c1
InChIInChI=1S/C10H15N2.C5H5.Fe/c1-2-4-10(3-1)9-12-7-5-11-6-8-12;1-2-4-5-3-1;/h1-4,11H,5-9H2;1-5H;/q-5;-1;
InChIKeyGMYFIEGITJZRMP-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.21
Rot. Bonds2

About cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron

cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron (PubChem CID 91928288) has the molecular formula C15H20FeN2-6 and a molecular weight of 284.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron
PubChem CID91928288
Molecular FormulaC15H20FeN2-6
Molecular Weight284.18 g/mol
Exact Mass284.10
IUPAC Namecyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron
SMILES[Fe].[cH-]1[cH-][cH-][c-](CN2CCNCC2)[cH-]1.c1cc[cH-]c1
InChIInChI=1S/C10H15N2.C5H5.Fe/c1-2-4-10(3-1)9-12-7-5-11-6-8-12;1-2-4-5-3-1;/h1-4,11H,5-9H2;1-5H;/q-5;-1;
InChIKeyGMYFIEGITJZRMP-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 11984861
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CID 15494645
cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)
CID 11986784
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CID 15807877
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CID 18547144
piperazin-1-ylmethanethiol
CID 45087512
1-[2-(2H-pyridin-1-yl)ethyl]piperazine
CID 70488411
bis(cyclopenta-1,3-diene);gold
CID 140990202
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
azane;1-benzylpiperazine
CID 174866973
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CID 174594870
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CID 22628674

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron?
The IUPAC name of cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron (CID 91928288) is cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron.
What is the SMILES notation for cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron?
The canonical SMILES for cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron is [Fe].[cH-]1[cH-][cH-][c-](CN2CCNCC2)[cH-]1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron?
The InChIKey is GMYFIEGITJZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2.C5H5.Fe/c1-2-4-10(3-1)9-12-7-5-11-6-8-12;1-2-4-5-3-1;/h1-4,11H,5-9H2;1-5H;/q-5;-1;.
What are the key properties of cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron?
cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron has a molecular weight of 284.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-(cyclopentylmethyl)piperazine;iron is sourced from PubChem (CID 91928288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).