2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde

C11H15N3O — CID 84778549

IUPAC2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(CN2CCNCC2)c1
InChIInChI=1S/C11H15N3O/c15-9-10-1-2-13-11(7-10)8-14-5-3-12-4-6-14/h1-2,7,9,12H,3-6,8H2
InChIKeyWAQUJJOXTSOGSA-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.30
Rot. Bonds3

About 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde

2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde (PubChem CID 84778549) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde
PubChem CID84778549
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde
SMILESO=Cc1ccnc(CN2CCNCC2)c1
InChIInChI=1S/C11H15N3O/c15-9-10-1-2-13-11(7-10)8-14-5-3-12-4-6-14/h1-2,7,9,12H,3-6,8H2
InChIKeyWAQUJJOXTSOGSA-UHFFFAOYSA-N
XLogP0.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
CID 83890072
4-fluoro-3-(piperazin-1-ylmethyl)benzaldehyde
CID 105479101
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
CID 167924639
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
4-(2-piperazin-1-ylethoxy)benzaldehyde
CID 23009909
1-[(5-bromo-4-methyl-2-pyridinyl)methyl]piperazine
CID 83903383
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyridine-4-carbaldehyde
CID 78427356
5-methyl-2-(piperazin-1-ylmethyl)imidazo[1,2-c]pyrimidine
CID 84694889

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde (CID 84778549) is 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde is O=Cc1ccnc(CN2CCNCC2)c1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde?
The InChIKey is WAQUJJOXTSOGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-9-10-1-2-13-11(7-10)8-14-5-3-12-4-6-14/h1-2,7,9,12H,3-6,8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde?
2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 84778549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).