1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol

C12H21NO2 — CID 175609797

IUPAC1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol
SMILESC/C=C\C(=C/C)OCN1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-3-5-12(4-2)15-10-13-8-6-11(14)7-9-13/h3-5,11,14H,6-10H2,1-2H3/b5-3-,12-4+
InChIKeyVEFQHLVKGPCGOZ-BVEFSZSYSA-N
MW211.31 g/mol
LogP1.90
Rot. Bonds4

About 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol

1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol (PubChem CID 175609797) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol
PubChem CID175609797
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol
SMILESC/C=C\C(=C/C)OCN1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c1-3-5-12(4-2)15-10-13-8-6-11(14)7-9-13/h3-5,11,14H,6-10H2,1-2H3/b5-3-,12-4+
InChIKeyVEFQHLVKGPCGOZ-BVEFSZSYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol?
The IUPAC name of 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol (CID 175609797) is 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol?
The canonical SMILES for 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol is C/C=C\C(=C/C)OCN1CCC(O)CC1.
What is the InChIKey of 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol?
The InChIKey is VEFQHLVKGPCGOZ-BVEFSZSYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-5-12(4-2)15-10-13-8-6-11(14)7-9-13/h3-5,11,14H,6-10H2,1-2H3/b5-3-,12-4+.
What are the key properties of 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol?
1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol has a molecular weight of 211.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]piperidin-4-ol is sourced from PubChem (CID 175609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).