6-piperidin-3-ylhexanal

C11H21NO — CID 54431211

IUPAC6-piperidin-3-ylhexanal
SMILESO=CCCCCCC1CCCNC1
InChIInChI=1S/C11H21NO/c13-9-4-2-1-3-6-11-7-5-8-12-10-11/h9,11-12H,1-8,10H2
InChIKeyLFBHREDDGFPOTJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.14
Rot. Bonds6

About 6-piperidin-3-ylhexanal

6-piperidin-3-ylhexanal (PubChem CID 54431211) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-piperidin-3-ylhexanal.

Molecular Properties

Compound Name6-piperidin-3-ylhexanal
PubChem CID54431211
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-piperidin-3-ylhexanal
SMILESO=CCCCCCC1CCCNC1
InChIInChI=1S/C11H21NO/c13-9-4-2-1-3-6-11-7-5-8-12-10-11/h9,11-12H,1-8,10H2
InChIKeyLFBHREDDGFPOTJ-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.14
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 6-piperidin-3-ylhexanal?
The IUPAC name of 6-piperidin-3-ylhexanal (CID 54431211) is 6-piperidin-3-ylhexanal.
What is the SMILES notation for 6-piperidin-3-ylhexanal?
The canonical SMILES for 6-piperidin-3-ylhexanal is O=CCCCCCC1CCCNC1.
What is the InChIKey of 6-piperidin-3-ylhexanal?
The InChIKey is LFBHREDDGFPOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-9-4-2-1-3-6-11-7-5-8-12-10-11/h9,11-12H,1-8,10H2.
What are the key properties of 6-piperidin-3-ylhexanal?
6-piperidin-3-ylhexanal has a molecular weight of 183.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-3-ylhexanal is sourced from PubChem (CID 54431211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).