1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol

C14H23NO2 — CID 142939348

IUPAC1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol
SMILESC/C=C\C(=C/C(=C/C)OC)N1CCC(O)CC1
InChIInChI=1S/C14H23NO2/c1-4-6-12(11-14(5-2)17-3)15-9-7-13(16)8-10-15/h4-6,11,13,16H,7-10H2,1-3H3/b6-4-,12-11+,14-5-
InChIKeyMDBWOALTKCTWEK-COGPDKRVSA-N
MW237.34 g/mol
LogP2.45
Rot. Bonds4

About 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol

1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol (PubChem CID 142939348) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol
PubChem CID142939348
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol
SMILESC/C=C\C(=C/C(=C/C)OC)N1CCC(O)CC1
InChIInChI=1S/C14H23NO2/c1-4-6-12(11-14(5-2)17-3)15-9-7-13(16)8-10-15/h4-6,11,13,16H,7-10H2,1-3H3/b6-4-,12-11+,14-5-
InChIKeyMDBWOALTKCTWEK-COGPDKRVSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.45
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-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol?
The IUPAC name of 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol (CID 142939348) is 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol is C/C=C\C(=C/C(=C/C)OC)N1CCC(O)CC1.
What is the InChIKey of 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol?
The InChIKey is MDBWOALTKCTWEK-COGPDKRVSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-6-12(11-14(5-2)17-3)15-9-7-13(16)8-10-15/h4-6,11,13,16H,7-10H2,1-3H3/b6-4-,12-11+,14-5-.
What are the key properties of 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol?
1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol has a molecular weight of 237.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6Z)-6-methoxyocta-2,4,6-trien-4-yl]piperidin-4-ol is sourced from PubChem (CID 142939348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).