4-piperidin-4-ylbutanal

C9H17NO — CID 11840929

IUPAC4-piperidin-4-ylbutanal
SMILESO=CCCCC1CCNCC1
InChIInChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2
InChIKeyHADYAKDSDIXWOF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.36
Rot. Bonds4

About 4-piperidin-4-ylbutanal

4-piperidin-4-ylbutanal (PubChem CID 11840929) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-piperidin-4-ylbutanal.

Molecular Properties

Compound Name4-piperidin-4-ylbutanal
PubChem CID11840929
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-piperidin-4-ylbutanal
SMILESO=CCCCC1CCNCC1
InChIInChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2
InChIKeyHADYAKDSDIXWOF-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylbutanal?
The IUPAC name of 4-piperidin-4-ylbutanal (CID 11840929) is 4-piperidin-4-ylbutanal.
What is the SMILES notation for 4-piperidin-4-ylbutanal?
The canonical SMILES for 4-piperidin-4-ylbutanal is O=CCCCC1CCNCC1.
What is the InChIKey of 4-piperidin-4-ylbutanal?
The InChIKey is HADYAKDSDIXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-8-2-1-3-9-4-6-10-7-5-9/h8-10H,1-7H2.
What are the key properties of 4-piperidin-4-ylbutanal?
4-piperidin-4-ylbutanal has a molecular weight of 155.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbutanal is sourced from PubChem (CID 11840929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).