4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde

C14H26N2O — CID 123394431

IUPAC4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C14H26N2O/c17-12-16-10-6-14(7-11-16)3-1-2-13-4-8-15-9-5-13/h12-15H,1-11H2
InChIKeyPVAZMWZXMBBKAO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds5

About 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde

4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde (PubChem CID 123394431) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde
PubChem CID123394431
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(CCCC2CCNCC2)CC1
InChIInChI=1S/C14H26N2O/c17-12-16-10-6-14(7-11-16)3-1-2-13-4-8-15-9-5-13/h12-15H,1-11H2
InChIKeyPVAZMWZXMBBKAO-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde (CID 123394431) is 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde is O=CN1CCC(CCCC2CCNCC2)CC1.
What is the InChIKey of 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde?
The InChIKey is PVAZMWZXMBBKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-12-16-10-6-14(7-11-16)3-1-2-13-4-8-15-9-5-13/h12-15H,1-11H2.
What are the key properties of 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde?
4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde has a molecular weight of 238.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-ylpropyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 123394431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).