4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde

C11H21N3O — CID 82078132

IUPAC4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c15-10-14-7-5-13(6-8-14)9-11-1-3-12-4-2-11/h10-12H,1-9H2
InChIKeyVZRNXIFWKOQQHE-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.24
Rot. Bonds3

About 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde

4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde (PubChem CID 82078132) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde
PubChem CID82078132
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c15-10-14-7-5-13(6-8-14)9-11-1-3-12-4-2-11/h10-12H,1-9H2
InChIKeyVZRNXIFWKOQQHE-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde (CID 82078132) is 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde is O=CN1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde?
The InChIKey is VZRNXIFWKOQQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-10-14-7-5-13(6-8-14)9-11-1-3-12-4-2-11/h10-12H,1-9H2.
What are the key properties of 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde?
4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde has a molecular weight of 211.31 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 82078132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).