1-piperidin-4-ylhexa-2,5-dien-2-ol

C11H19NO — CID 70138953

IUPAC1-piperidin-4-ylhexa-2,5-dien-2-ol
SMILESC=CCC=C(O)CC1CCNCC1
InChIInChI=1S/C11H19NO/c1-2-3-4-11(13)9-10-5-7-12-8-6-10/h2,4,10,12-13H,1,3,5-9H2
InChIKeyLPNLSHAKNMLDFS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds4

About 1-piperidin-4-ylhexa-2,5-dien-2-ol

1-piperidin-4-ylhexa-2,5-dien-2-ol (PubChem CID 70138953) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-piperidin-4-ylhexa-2,5-dien-2-ol.

Molecular Properties

Compound Name1-piperidin-4-ylhexa-2,5-dien-2-ol
PubChem CID70138953
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-piperidin-4-ylhexa-2,5-dien-2-ol
SMILESC=CCC=C(O)CC1CCNCC1
InChIInChI=1S/C11H19NO/c1-2-3-4-11(13)9-10-5-7-12-8-6-10/h2,4,10,12-13H,1,3,5-9H2
InChIKeyLPNLSHAKNMLDFS-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylhexa-2,5-dien-2-ol?
The IUPAC name of 1-piperidin-4-ylhexa-2,5-dien-2-ol (CID 70138953) is 1-piperidin-4-ylhexa-2,5-dien-2-ol.
What is the SMILES notation for 1-piperidin-4-ylhexa-2,5-dien-2-ol?
The canonical SMILES for 1-piperidin-4-ylhexa-2,5-dien-2-ol is C=CCC=C(O)CC1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylhexa-2,5-dien-2-ol?
The InChIKey is LPNLSHAKNMLDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-11(13)9-10-5-7-12-8-6-10/h2,4,10,12-13H,1,3,5-9H2.
What are the key properties of 1-piperidin-4-ylhexa-2,5-dien-2-ol?
1-piperidin-4-ylhexa-2,5-dien-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylhexa-2,5-dien-2-ol is sourced from PubChem (CID 70138953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).