azane;4-piperidin-1-ylpiperidine-4-carbaldehyde

C11H23N3O — CID 142887669

IUPACazane;4-piperidin-1-ylpiperidine-4-carbaldehyde
SMILESN.O=CC1(N2CCCCC2)CCNCC1
InChIInChI=1S/C11H20N2O.H3N/c14-10-11(4-6-12-7-5-11)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H3
InChIKeyIZFXVTNBMLMESZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.96
Rot. Bonds2

About azane;4-piperidin-1-ylpiperidine-4-carbaldehyde

azane;4-piperidin-1-ylpiperidine-4-carbaldehyde (PubChem CID 142887669) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is azane;4-piperidin-1-ylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Nameazane;4-piperidin-1-ylpiperidine-4-carbaldehyde
PubChem CID142887669
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Nameazane;4-piperidin-1-ylpiperidine-4-carbaldehyde
SMILESN.O=CC1(N2CCCCC2)CCNCC1
InChIInChI=1S/C11H20N2O.H3N/c14-10-11(4-6-12-7-5-11)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H3
InChIKeyIZFXVTNBMLMESZ-UHFFFAOYSA-N
XLogP0.96
TPSA67.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;4-piperidin-1-ylpiperidine-4-carbaldehyde?
The IUPAC name of azane;4-piperidin-1-ylpiperidine-4-carbaldehyde (CID 142887669) is azane;4-piperidin-1-ylpiperidine-4-carbaldehyde.
What is the SMILES notation for azane;4-piperidin-1-ylpiperidine-4-carbaldehyde?
The canonical SMILES for azane;4-piperidin-1-ylpiperidine-4-carbaldehyde is N.O=CC1(N2CCCCC2)CCNCC1.
What is the InChIKey of azane;4-piperidin-1-ylpiperidine-4-carbaldehyde?
The InChIKey is IZFXVTNBMLMESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.H3N/c14-10-11(4-6-12-7-5-11)13-8-2-1-3-9-13;/h10,12H,1-9H2;1H3.
What are the key properties of azane;4-piperidin-1-ylpiperidine-4-carbaldehyde?
azane;4-piperidin-1-ylpiperidine-4-carbaldehyde has a molecular weight of 213.32 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-piperidin-1-ylpiperidine-4-carbaldehyde is sourced from PubChem (CID 142887669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).