2-(furan-3-ylmethyl)piperazine-1-carbaldehyde

C10H14N2O2 — CID 173034597

IUPAC2-(furan-3-ylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1Cc1ccoc1
InChIInChI=1S/C10H14N2O2/c13-8-12-3-2-11-6-10(12)5-9-1-4-14-7-9/h1,4,7-8,10-11H,2-3,5-6H2
InChIKeyGNIKRRKXCAVKKF-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.25
Rot. Bonds3

About 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde

2-(furan-3-ylmethyl)piperazine-1-carbaldehyde (PubChem CID 173034597) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)piperazine-1-carbaldehyde
PubChem CID173034597
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(furan-3-ylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1Cc1ccoc1
InChIInChI=1S/C10H14N2O2/c13-8-12-3-2-11-6-10(12)5-9-1-4-14-7-9/h1,4,7-8,10-11H,2-3,5-6H2
InChIKeyGNIKRRKXCAVKKF-UHFFFAOYSA-N
XLogP0.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl]piperazine-1-carbaldehyde
CID 19689452
2-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 174667469
2-(methylaminomethyl)piperazine-1-carbaldehyde
CID 144913960
(2S)-2-(furan-2-yl)piperazine-1-carbaldehyde
CID 124561846
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde
CID 22614389
2-butan-2-ylpiperazine-1-carbaldehyde
CID 91801359
2-pyrimidin-2-ylpiperazine-1-carbaldehyde
CID 91615217
2-cyclopropylpiperazine-1-carbaldehyde
CID 87187769
(2R)-2-benzyl-1-methylsulfonylpiperazine
CID 94990746
4-[(1-methylpiperazin-2-yl)methyl]benzoic acid
CID 18440347
5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde?
The IUPAC name of 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde (CID 173034597) is 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde is O=CN1CCNCC1Cc1ccoc1.
What is the InChIKey of 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde?
The InChIKey is GNIKRRKXCAVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-8-12-3-2-11-6-10(12)5-9-1-4-14-7-9/h1,4,7-8,10-11H,2-3,5-6H2.
What are the key properties of 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde?
2-(furan-3-ylmethyl)piperazine-1-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 173034597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).