(E)-6-piperidin-1-ylhex-4-en-3-one

C11H19NO — CID 14765513

IUPAC(E)-6-piperidin-1-ylhex-4-en-3-one
SMILESCCC(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C11H19NO/c1-2-11(13)7-6-10-12-8-4-3-5-9-12/h6-7H,2-5,8-10H2,1H3/b7-6+
InChIKeyDKPNLLOJUJZVII-VOTSOKGWSA-N
MW181.28 g/mol
LogP2.01
Rot. Bonds4

About (E)-6-piperidin-1-ylhex-4-en-3-one

(E)-6-piperidin-1-ylhex-4-en-3-one (PubChem CID 14765513) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-6-piperidin-1-ylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-6-piperidin-1-ylhex-4-en-3-one
PubChem CID14765513
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-6-piperidin-1-ylhex-4-en-3-one
SMILESCCC(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C11H19NO/c1-2-11(13)7-6-10-12-8-4-3-5-9-12/h6-7H,2-5,8-10H2,1H3/b7-6+
InChIKeyDKPNLLOJUJZVII-VOTSOKGWSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-piperidin-1-ylhex-4-en-3-one?
The IUPAC name of (E)-6-piperidin-1-ylhex-4-en-3-one (CID 14765513) is (E)-6-piperidin-1-ylhex-4-en-3-one.
What is the SMILES notation for (E)-6-piperidin-1-ylhex-4-en-3-one?
The canonical SMILES for (E)-6-piperidin-1-ylhex-4-en-3-one is CCC(=O)/C=C/CN1CCCCC1.
What is the InChIKey of (E)-6-piperidin-1-ylhex-4-en-3-one?
The InChIKey is DKPNLLOJUJZVII-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(13)7-6-10-12-8-4-3-5-9-12/h6-7H,2-5,8-10H2,1H3/b7-6+.
What are the key properties of (E)-6-piperidin-1-ylhex-4-en-3-one?
(E)-6-piperidin-1-ylhex-4-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-piperidin-1-ylhex-4-en-3-one is sourced from PubChem (CID 14765513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).