2-piperidin-1-ylhex-2-enal

C11H19NO — CID 74024163

IUPAC2-piperidin-1-ylhex-2-enal
SMILESCCCC=C(C=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-2-3-7-11(10-13)12-8-5-4-6-9-12/h7,10H,2-6,8-9H2,1H3
InChIKeyLJDLVRKUMGYQQJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.36
Rot. Bonds4

About 2-piperidin-1-ylhex-2-enal

2-piperidin-1-ylhex-2-enal (PubChem CID 74024163) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-piperidin-1-ylhex-2-enal.

Molecular Properties

Compound Name2-piperidin-1-ylhex-2-enal
PubChem CID74024163
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-piperidin-1-ylhex-2-enal
SMILESCCCC=C(C=O)N1CCCCC1
InChIInChI=1S/C11H19NO/c1-2-3-7-11(10-13)12-8-5-4-6-9-12/h7,10H,2-6,8-9H2,1H3
InChIKeyLJDLVRKUMGYQQJ-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylhex-2-enal?
The IUPAC name of 2-piperidin-1-ylhex-2-enal (CID 74024163) is 2-piperidin-1-ylhex-2-enal.
What is the SMILES notation for 2-piperidin-1-ylhex-2-enal?
The canonical SMILES for 2-piperidin-1-ylhex-2-enal is CCCC=C(C=O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylhex-2-enal?
The InChIKey is LJDLVRKUMGYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-7-11(10-13)12-8-5-4-6-9-12/h7,10H,2-6,8-9H2,1H3.
What are the key properties of 2-piperidin-1-ylhex-2-enal?
2-piperidin-1-ylhex-2-enal has a molecular weight of 181.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylhex-2-enal is sourced from PubChem (CID 74024163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).