4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde

C11H21N3O — CID 82508367

IUPAC4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c15-10-14-5-1-11(2-6-14)9-13-7-3-12-4-8-13/h10-12H,1-9H2
InChIKeyCEBPXQFPGUKWFI-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.24
Rot. Bonds3

About 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde

4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde (PubChem CID 82508367) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde
PubChem CID82508367
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C11H21N3O/c15-10-14-5-1-11(2-6-14)9-13-7-3-12-4-8-13/h10-12H,1-9H2
InChIKeyCEBPXQFPGUKWFI-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-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde (CID 82508367) is 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde is O=CN1CCC(CN2CCNCC2)CC1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde?
The InChIKey is CEBPXQFPGUKWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-10-14-5-1-11(2-6-14)9-13-7-3-12-4-8-13/h10-12H,1-9H2.
What are the key properties of 4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde?
4-(piperazin-1-ylmethyl)piperidine-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-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 82508367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).